Chemistry â€ș Physical and Theoretical Chemistry

Various Chemistry Research Topics

Description

This cluster of papers focuses on innovations in chemistry education and laboratory techniques, including the use of virtual laboratories, primary literature, light-emitting diodes, smartphone applications, 3D printing, and green chemistry. It also explores student-created videos and the challenges and successes of distance learning in chemistry education.

Keywords

Laboratory Techniques; Chemistry Education; Virtual Laboratories; Primary Literature; Light-Emitting Diodes; Smartphone Applications; 3D Printing; Green Chemistry; Student-Created Videos; Distance Learning

Introduction and Survey. THE FOUNDATIONS: STRUCTURE AND NMR OF BIOPOLYMERS. NMR of Amino Acid Residues and Mononucleotides. NMR Spectra of Proteins and Nucleic Acids in Solution. The NMR Assignment Problem 
 Introduction and Survey. THE FOUNDATIONS: STRUCTURE AND NMR OF BIOPOLYMERS. NMR of Amino Acid Residues and Mononucleotides. NMR Spectra of Proteins and Nucleic Acids in Solution. The NMR Assignment Problem in Biopolymers. Two-Dimensional NMR With Proteins and Nucleic Acids. Nuclear Overhauser Enhancement (NOE) in Biopolymers. RESONANCE ASSIGNMENTS AND STRUCTURE DETERMINATION IN PROTEINS. NOE-Observable 1H-1H Distances in Proteins. Sequence-Specific Resonance Assignments in Proteins. Polypeptide Secondary Structures in Proteins by NMR. Three-Dimensional Protein Structures by NMR. RESONANCE ASSIGNMENTS AND STRUCTURE DETERMINATION IN NUCLEIC ACIDS. NOE-Observable 1H-1H Distances in Nucleic Acids. Resonance Assignments in Nucleic Acids Using Scalar Couplings. Nucleic Acid Conformation, 1H-1H Overhauser Effects, and Sequence-Specific Resonance Assignments. WITH NMR TO BIOPOLYMER CONFORMATION AND BEYOND. Conformation of Noncrystalline Proteins and Nucleic Acids. NMR Studies of Intermolecular Interactions with Biopolymers. References. Index.
ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTNMR Chemical Shifts of Common Laboratory Solvents as Trace ImpuritiesHugo E. Gottlieb, Vadim Kotlyar, and Abraham NudelmanView Author Information Department of Chemistry, Bar-Ilan University, Ramat-Gan 52900, IsraelCite 
 ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTNMR Chemical Shifts of Common Laboratory Solvents as Trace ImpuritiesHugo E. Gottlieb, Vadim Kotlyar, and Abraham NudelmanView Author Information Department of Chemistry, Bar-Ilan University, Ramat-Gan 52900, IsraelCite this: J. Org. Chem. 1997, 62, 21, 7512–7515Publication Date (Web):October 17, 1997Publication History Received27 June 1997Published online17 October 1997Published inissue 1 October 1997https://pubs.acs.org/doi/10.1021/jo971176vhttps://doi.org/10.1021/jo971176vbrief-reportACS PublicationsCopyright © 1997 American Chemical SocietyRequest reuse permissionsArticle Views779575Altmetric-Citations3033LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose SUBJECTS:Alcohols,Aromatic compounds,Hydrocarbons,Sodium,Solvents Get e-Alerts
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTGeneral definition of ring puckering coordinatesD. Cremer and J. A. PopleCite this: J. Am. Chem. Soc. 1975, 97, 6, 1354–1358Publication Date (Print):March 1, 1975Publication History Published online1 
 ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTGeneral definition of ring puckering coordinatesD. Cremer and J. A. PopleCite this: J. Am. Chem. Soc. 1975, 97, 6, 1354–1358Publication Date (Print):March 1, 1975Publication History Published online1 May 2002Published inissue 1 March 1975https://pubs.acs.org/doi/10.1021/ja00839a011https://doi.org/10.1021/ja00839a011research-articleACS PublicationsRequest reuse permissionsArticle Views5950Altmetric-Citations5314LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThe path of chemical reactions - the IRC approachKenichi FukuiCite this: Acc. Chem. Res. 1981, 14, 12, 363–368Publication Date (Print):December 1, 1981Publication History Published online1 May 2002Published 
 ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThe path of chemical reactions - the IRC approachKenichi FukuiCite this: Acc. Chem. Res. 1981, 14, 12, 363–368Publication Date (Print):December 1, 1981Publication History Published online1 May 2002Published inissue 1 December 1981https://pubs.acs.org/doi/10.1021/ar00072a001https://doi.org/10.1021/ar00072a001research-articleACS PublicationsRequest reuse permissionsArticle Views7623Altmetric-Citations5299LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
Tables of 1H and 13C NMR chemical shifts have been compiled for common organic compounds often used as reagents or found as products or contaminants in deuterated organic solvents. Building 
 Tables of 1H and 13C NMR chemical shifts have been compiled for common organic compounds often used as reagents or found as products or contaminants in deuterated organic solvents. Building upon the work of Gottlieb, Kotlyar, and Nudelman in the Journal of Organic Chemistry, signals for common impurities are now reported in additional NMR solvents (tetrahydrofuran-d8, toluene-d8, dichloromethane-d2, chlorobenzene-d5, and 2,2,2-trifluoroethanol-d3) which are frequently used in organometallic laboratories. Chemical shifts for other organics which are often used as reagents or internal standards or are found as products in organometallic chemistry are also reported for all the listed solvents.
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTHard and Soft Acids and BasesRalph G. PearsonCite this: J. Am. Chem. Soc. 1963, 85, 22, 3533–3539Publication Date (Print):November 1, 1963Publication History Published online1 May 2002Published inissue 
 ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTHard and Soft Acids and BasesRalph G. PearsonCite this: J. Am. Chem. Soc. 1963, 85, 22, 3533–3539Publication Date (Print):November 1, 1963Publication History Published online1 May 2002Published inissue 1 November 1963https://pubs.acs.org/doi/10.1021/ja00905a001https://doi.org/10.1021/ja00905a001research-articleACS PublicationsRequest reuse permissionsArticle Views28682Altmetric-Citations7890LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
Formulas have been developed to calculate the forces in a molecular system directly, rather than indirectly through the agency of energy. This permits an independent calculation of the slope of 
 Formulas have been developed to calculate the forces in a molecular system directly, rather than indirectly through the agency of energy. This permits an independent calculation of the slope of the curves of energy vs. position of the nuclei, and may thus increase the accuracy, or decrease the labor involved in the calculation of these curves. The force on a nucleus in an atomic system is shown to be just the classical electrostatic force that would be exerted on this nucleus by other nuclei and by the electrons' charge distribution. Qualitative implications of this are discussed.
ADVERTISEMENT RETURN TO ISSUEPREVBook and Media Revie...Book and Media ReviewNEXTIntroduction to chemical engineering thermodynamicsJ. M. Smith Cite this: J. Chem. Educ. 1950, 27, 10, 584Publication Date (Print):October 1, 1950Publication History 
 ADVERTISEMENT RETURN TO ISSUEPREVBook and Media Revie...Book and Media ReviewNEXTIntroduction to chemical engineering thermodynamicsJ. M. Smith Cite this: J. Chem. Educ. 1950, 27, 10, 584Publication Date (Print):October 1, 1950Publication History Received3 August 2009Published online1 October 1950Published inissue 1 October 1950https://doi.org/10.1021/ed027p584.3RIGHTS & PERMISSIONSArticle Views17147Altmetric-Citations85LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (2 MB) Get e-Alerts Get e-Alerts
Two extended basis sets (termed 5–31G and 6–31G) consisting of atomic orbitals expressed as fixed linear combinations of Gaussian functions are presented for the first row atoms carbon to fluorine. 
 Two extended basis sets (termed 5–31G and 6–31G) consisting of atomic orbitals expressed as fixed linear combinations of Gaussian functions are presented for the first row atoms carbon to fluorine. These basis functions are similar to the 4–31G set [J. Chem. Phys. 54, 724 (1971)] in that each valence shell is split into inner and outer parts described by three and one Gaussian function, respectively. Inner shells are represented by a single basis function taken as a sum of five (5–31G) or six (6–31G) Gaussians. Studies with a number of polyatomic molecules indicate a substantial lowering of calculated total energies over the 4–31G set. Calculated relative energies and equilibrium geometries do not appear to be altered significantly.
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThe Determination of Enzyme Dissociation ConstantsHans Lineweaver and Dean BurkCite this: J. Am. Chem. Soc. 1934, 56, 3, 658–666Publication Date (Print):March 1, 1934Publication History Published online1 May 
 ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThe Determination of Enzyme Dissociation ConstantsHans Lineweaver and Dean BurkCite this: J. Am. Chem. Soc. 1934, 56, 3, 658–666Publication Date (Print):March 1, 1934Publication History Published online1 May 2002Published inissue 1 March 1934https://doi.org/10.1021/ja01318a036RIGHTS & PERMISSIONSArticle Views17226Altmetric-Citations9769LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (854 KB) Get e-Alertsclose Get e-Alerts
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTFenton's reagent revisitedCheves WallingCite this: Acc. Chem. Res. 1975, 8, 4, 125–131Publication Date (Print):April 1, 1975Publication History Published online1 May 2002Published inissue 1 April 1975https://pubs.acs.org/doi/10.1021/ar50088a003https://doi.org/10.1021/ar50088a003research-articleACS PublicationsRequest reuse 
 ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTFenton's reagent revisitedCheves WallingCite this: Acc. Chem. Res. 1975, 8, 4, 125–131Publication Date (Print):April 1, 1975Publication History Published online1 May 2002Published inissue 1 April 1975https://pubs.acs.org/doi/10.1021/ar50088a003https://doi.org/10.1021/ar50088a003research-articleACS PublicationsRequest reuse permissionsArticle Views8323Altmetric-Citations2374LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
ADVERTISEMENT RETURN TO ISSUEPREVBook and Media Revie...Book and Media ReviewNEXTMolecular theory of gases and liquidsRobert L. Scott Cite this: J. Chem. Educ. 1955, 32, 4, 232Publication Date (Print):April 1, 1955Publication 
 ADVERTISEMENT RETURN TO ISSUEPREVBook and Media Revie...Book and Media ReviewNEXTMolecular theory of gases and liquidsRobert L. Scott Cite this: J. Chem. Educ. 1955, 32, 4, 232Publication Date (Print):April 1, 1955Publication History Received3 August 2009Published online1 April 1955Published inissue 1 April 1955https://doi.org/10.1021/ed032p232.2RIGHTS & PERMISSIONSArticle Views1104Altmetric-Citations-LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (2 MB) Get e-Alerts Get e-Alerts
ADVERTISEMENT RETURN TO ISSUEPREVBook and Media Revie...Book and Media ReviewNEXTThe properties of gases and liquidsKenneth A. Kobe Cite this: J. Chem. Educ. 1959, 36, 3, 154Publication Date (Print):March 1, 1959Publication 
 ADVERTISEMENT RETURN TO ISSUEPREVBook and Media Revie...Book and Media ReviewNEXTThe properties of gases and liquidsKenneth A. Kobe Cite this: J. Chem. Educ. 1959, 36, 3, 154Publication Date (Print):March 1, 1959Publication History Received3 August 2009Published online1 March 1959Published inissue 1 March 1959https://doi.org/10.1021/ed036p154.4RIGHTS & PERMISSIONSArticle Views1324Altmetric-Citations-LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (1 MB) Get e-Alerts Get e-Alerts
ADVERTISEMENT RETURN TO ISSUEPREVBook and Media Revie...Book and Media ReviewNEXTInfrared spectra of complex moleculesDavid F. Eggers Jr.Cite this: J. Chem. Educ. 1959, 36, 7, 366Publication Date (Print):July 1, 1959Publication History 
 ADVERTISEMENT RETURN TO ISSUEPREVBook and Media Revie...Book and Media ReviewNEXTInfrared spectra of complex moleculesDavid F. Eggers Jr.Cite this: J. Chem. Educ. 1959, 36, 7, 366Publication Date (Print):July 1, 1959Publication History Received3 August 2009Published online1 July 1959Published inissue 1 July 1959https://doi.org/10.1021/ed036p366.4RIGHTS & PERMISSIONSArticle Views189Altmetric-Citations-LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (942 KB) Get e-Alerts Get e-Alerts
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTDevelopment and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular modelMichael J. S. Dewar, Eve G. Zoebisch, Eamonn F. Healy, 
 ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTDevelopment and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular modelMichael J. S. Dewar, Eve G. Zoebisch, Eamonn F. Healy, and James J. P. StewartCite this: J. Am. Chem. Soc. 1985, 107, 13, 3902–3909Publication Date (Print):June 1, 1985Publication History Published online1 May 2002Published inissue 1 June 1985https://pubs.acs.org/doi/10.1021/ja00299a024https://doi.org/10.1021/ja00299a024research-articleACS PublicationsRequest reuse permissionsArticle Views9784Altmetric-Citations12058LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTReaction path following in mass-weighted internal coordinatesCarlos. Gonzalez and H. Bernhard. SchlegelCite this: J. Phys. Chem. 1990, 94, 14, 5523–5527Publication Date (Print):July 1, 1990Publication History Published online1 
 ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTReaction path following in mass-weighted internal coordinatesCarlos. Gonzalez and H. Bernhard. SchlegelCite this: J. Phys. Chem. 1990, 94, 14, 5523–5527Publication Date (Print):July 1, 1990Publication History Published online1 May 2002Published inissue 1 July 1990https://pubs.acs.org/doi/10.1021/j100377a021https://doi.org/10.1021/j100377a021research-articleACS PublicationsRequest reuse permissionsArticle Views4239Altmetric-Citations5423LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access options Get e-Alerts
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTFormulation of the reaction coordinateKenichi FukuiCite this: J. Phys. Chem. 1970, 74, 23, 4161–4163Publication Date (Print):November 1, 1970Publication History Published online1 May 2002Published inissue 1 November 1970https://pubs.acs.org/doi/10.1021/j100717a029https://doi.org/10.1021/j100717a029research-articleACS 
 ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTFormulation of the reaction coordinateKenichi FukuiCite this: J. Phys. Chem. 1970, 74, 23, 4161–4163Publication Date (Print):November 1, 1970Publication History Published online1 May 2002Published inissue 1 November 1970https://pubs.acs.org/doi/10.1021/j100717a029https://doi.org/10.1021/j100717a029research-articleACS PublicationsRequest reuse permissionsArticle Views3800Altmetric-Citations3028LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access options Get e-Alerts
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSpectrometric identification of organic compoundsRobert M. Silverstein and G. Clayton Bassler Cite this: J. Chem. Educ. 1962, 39, 11, 546Publication Date (Print):November 1, 1962Publication History Received3 August 
 ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSpectrometric identification of organic compoundsRobert M. Silverstein and G. Clayton Bassler Cite this: J. Chem. Educ. 1962, 39, 11, 546Publication Date (Print):November 1, 1962Publication History Received3 August 2009Published online1 November 1962Published inissue 1 November 1962https://doi.org/10.1021/ed039p546RIGHTS & PERMISSIONSArticle Views8834Altmetric-Citations341LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (4 MB) Get e-Alerts Get e-Alerts
Abstract An integrated molecular modeling system for designing and studying organic and bioorganic molecules and their molecular complexes using molecular mechanics is described. The graphically controlled, atom‐based system allows the 
 Abstract An integrated molecular modeling system for designing and studying organic and bioorganic molecules and their molecular complexes using molecular mechanics is described. The graphically controlled, atom‐based system allows the construction, display and manipulation of molecules and complexes having as many as 10,000 atoms and provides interactive, state‐of‐the‐art molecular mechanics on any subset of up to 1,000 atoms. The system semiautomates the graphical construction and analysis of complex structures ranging from polycyclic organic molecules to biopolymers to mixed molecular complexes. We have placed emphasis on providing effective searches of conformational space by a number of different methods and on highly optimized molecular mechanics energy calculations using widely used force fields which are supplied as external files. Little experience is required to operate the system effectively and even novices can use it to carry out sophisticated modeling operations. The software has been designed to run on Digital Equipment Corporation VAX computers interfaced to a variety of graphics devices ranging from inexpensive monochrome terminals to the sophisticated graphics displays of the Evans & Sutherland PS300 series.
ADVERTISEMENT RETURN TO ISSUEPREVBook and Media Revie...Book and Media ReviewNEXTChemical engineers' handbookJohn H. Perry Cite this: J. Chem. Educ. 1950, 27, 9, 533Publication Date (Print):September 1, 1950Publication History Received3 August 
 ADVERTISEMENT RETURN TO ISSUEPREVBook and Media Revie...Book and Media ReviewNEXTChemical engineers' handbookJohn H. Perry Cite this: J. Chem. Educ. 1950, 27, 9, 533Publication Date (Print):September 1, 1950Publication History Received3 August 2009Published online1 September 1950Published inissue 1 September 1950https://doi.org/10.1021/ed027p533.1RIGHTS & PERMISSIONSArticle Views11091Altmetric-Citations175LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (1 MB) Get e-Alerts Get e-Alerts
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTHandbook of Chemistry and Physics.Alfred BurgerCite this: J. Med. Chem. 1965, 8, 2, 278Publication Date (Print):March 1, 1965Publication History Published online1 May 2002Published inissue 1 March 1965https://pubs.acs.org/doi/10.1021/jm00326a044https://doi.org/10.1021/jm00326a044research-articleACS 
 ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTHandbook of Chemistry and Physics.Alfred BurgerCite this: J. Med. Chem. 1965, 8, 2, 278Publication Date (Print):March 1, 1965Publication History Published online1 May 2002Published inissue 1 March 1965https://pubs.acs.org/doi/10.1021/jm00326a044https://doi.org/10.1021/jm00326a044research-articleACS PublicationsRequest reuse permissionsArticle Views521Altmetric-Citations2LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
<italic>Physical Chemistry</italic> provides a comprehensive overview of this topic. It starts off with looking into the properties of gases. It then covers the First, Second, and Third Laws. Next it 
 <italic>Physical Chemistry</italic> provides a comprehensive overview of this topic. It starts off with looking into the properties of gases. It then covers the First, Second, and Third Laws. Next it looks into physical transformations of pure substances, simple mixtures, and chemical equilibrium. The text also considers quantum theory, atomic structure and spectra, molecular structure, molecular symmetry, and molecular spectroscopy. There follows a chapter about magnetic resonance. The text then looks at statistical thermodynamics. The last quarter of the book considers molecular interactions, solids, molecules in motion, chemical kinetic, and reaction dynamics. The last chapter covers processes at solid surfaces.
ADVERTISEMENT RETURN TO ISSUEPREVBook and Media Revie...Book and Media ReviewNEXTElectrochemical methods, fundamentals and applicationsD. A. Aikens Cite this: J. Chem. Educ. 1983, 60, 1, A25Publication Date (Print):January 1, 1983Publication History 
 ADVERTISEMENT RETURN TO ISSUEPREVBook and Media Revie...Book and Media ReviewNEXTElectrochemical methods, fundamentals and applicationsD. A. Aikens Cite this: J. Chem. Educ. 1983, 60, 1, A25Publication Date (Print):January 1, 1983Publication History Received3 August 2009Published online1 January 1983Published inissue 1 January 1983https://doi.org/10.1021/ed060pA25.1RIGHTS & PERMISSIONSArticle Views16897Altmetric-Citations79LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (936 KB) Get e-Alerts Get e-Alerts
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAtoms in moleculesR. F. W. BaderCite this: Acc. Chem. Res. 1985, 18, 1, 9–15Publication Date (Print):January 1, 1985Publication History Published online1 May 2002Published inissue 1 January 1985https://pubs.acs.org/doi/10.1021/ar00109a003https://doi.org/10.1021/ar00109a003research-articleACS 
 ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAtoms in moleculesR. F. W. BaderCite this: Acc. Chem. Res. 1985, 18, 1, 9–15Publication Date (Print):January 1, 1985Publication History Published online1 May 2002Published inissue 1 January 1985https://pubs.acs.org/doi/10.1021/ar00109a003https://doi.org/10.1021/ar00109a003research-articleACS PublicationsRequest reuse permissionsArticle Views5954Altmetric-Citations2646LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
Volume 1 - Molecular Recognition: Receptors for Cationic Guests. Volume 2 - Molecular Recognition: Receptors for Molecular Guests. Volume 3 - Cyclodextrins. Volume 4 - Supramolecular Reactivity and Transport: Bioorganic 
 Volume 1 - Molecular Recognition: Receptors for Cationic Guests. Volume 2 - Molecular Recognition: Receptors for Molecular Guests. Volume 3 - Cyclodextrins. Volume 4 - Supramolecular Reactivity and Transport: Bioorganic Systems. Volume 5 - Supramolecular Reactivity and Transport: Bioinorganic Systems. Volume 6 - Solid-State Supramolecular Chemistry: Crystal Engineering. Volume 7 - Solid-State Supramolecular Chemistry: Two- and Three-Dimensional Inorganic Networks. Volume 8 - Physical Methods in Supramolecular Chemistry. Volume 9 - Templating Self-Assembly and Self-Organization. Voulme 10 - Supramolecular Technology. Volume 11 - Cumulative Index.
1. Brief History 2. Nature and Properties 3. Strong Hydrogen Bonds 4. Moderate Hydrogen Bonds 5. Weak Hydrogen Bonds 6. Cooperativity, Patterns, Graph Set Theory, Liquid Crystals 7. Disorder, Proton 
 1. Brief History 2. Nature and Properties 3. Strong Hydrogen Bonds 4. Moderate Hydrogen Bonds 5. Weak Hydrogen Bonds 6. Cooperativity, Patterns, Graph Set Theory, Liquid Crystals 7. Disorder, Proton Transfer, Isotope Effect, Ferroelectrics, Transitions 8. Water, Water Dimers, Ices, Hydrates 9. Inclusion Compounds 10. Hydrogen Bonding in Biological Molecules 11. Methods
Metallocene hydrides, Cp2MHn (n=1-3), are complexes known for elements of Groups 3 to 8. Their properties can be understood by the use of a common qualitative MO diagram. Metallocene hydrides, Cp2MHn (n=1-3), are complexes known for elements of Groups 3 to 8. Their properties can be understood by the use of a common qualitative MO diagram.
In this work, an innovative and low-cost experimental setup was developed to measure the electron charge-to-mass ratio (q/m). It uses a cathode ray tube (CRT) obtained from an old mini-TV. 
 In this work, an innovative and low-cost experimental setup was developed to measure the electron charge-to-mass ratio (q/m). It uses a cathode ray tube (CRT) obtained from an old mini-TV. This paper shares plans for constructing the required electromagnet, its power supply, and a high-voltage source for accelerating the electrons in the CRT. The experimental setup can cost as little as $40. The electron beam displacement on the CRT screen can be used to determine the q/m ratio, making this an effective approach for modern experimental physics in high school and undergraduate courses.
Der Springbrunnenversuch ist ein bewĂ€hrtes und eindrucksvolles Demonstrationsexperiment, das im Themenbereich SĂ€ure‐Base‐Reaktionen oder auch als Showexperiment im Chemieunterricht eingesetzt wird. Der beeindruckende Springbrunneneffekt wird durch Druckunterschiede hervorgerufen. In Experimenten werden 
 Der Springbrunnenversuch ist ein bewĂ€hrtes und eindrucksvolles Demonstrationsexperiment, das im Themenbereich SĂ€ure‐Base‐Reaktionen oder auch als Showexperiment im Chemieunterricht eingesetzt wird. Der beeindruckende Springbrunneneffekt wird durch Druckunterschiede hervorgerufen. In Experimenten werden DruckverĂ€nderungen phĂ€nomenologisch hĂ€ufig durch Bewegungen, wie den Springbrunneneffekt oder auch das HerausdrĂŒcken des Kolbens aus einem Kolbenprober, sichtbar. Der Druck selbst kann als ungerichtete ZustandsgrĂ¶ĂŸe jedoch phĂ€nomenologisch nicht beobachtet werden. Um den Druck oder auch DruckverĂ€nderungen in einem System messbar und somit sichtbar zu machen, können in Schulexperimenten digitale Drucksensoren zum Einsatz kommen. Diese bieten das Potenzial, die schwer zu erfassende GrĂ¶ĂŸe „Druck“ fĂŒr Lernende besser begreifbar und nachvollziehbar zu machen. In diesem Beitrag wird die Verwendung eines Drucksensors beim Springbrunnenversuch vorgestellt.
One of the main problems in the analysis of cavity systems is the necessity to construct special basis sets that meet boundary conditions. The task often involves variational optimization of 
 One of the main problems in the analysis of cavity systems is the necessity to construct special basis sets that meet boundary conditions. The task often involves variational optimization of parameters for each molecular system, each type of potential, and cavity size, which makes the procedure very time-consuming. Here, we present a solution to this problem by using the variational quantum Monte Carlo method based on a neural networks approach, which needs no basis set and, hence, can be used "out-of-the-box" for a broad range of systems and potentials. This approach is particularly efficient for the calculation of systems in cavities of variable sizes, which is important in the study of high-pressure effects. Even for small systems, it provides results comparable to highly accurate variational estimates. For many-electron systems, it often outperforms methods based on Gaussian basis sets.
<title>Abstract</title> Discovering novel stable molecules without training data remains a grand scientific challenge. Current molecular generative models are trained on large, pre-curated datasets, which introduce biases and limit exploration of 
 <title>Abstract</title> Discovering novel stable molecules without training data remains a grand scientific challenge. Current molecular generative models are trained on large, pre-curated datasets, which introduce biases and limit exploration of novel chemistry. In contrast, we propose a new paradigm: autonomous, generalized agents capable of mapping vast, unknown chemical spaces without any pretraining. For the first time, we present a self-guided agent that autonomously constructs valid 3D isomers under stoichiometric constraints and is trained exclusively online using reinforcement learning. Unlike existing approaches that generally overfit to a specific chemical formula, we establish a multi-composition training scheme that enables a broad generalization across diverse chemistry, guided by energy- and validity-based rewards. Our agent can discover up to an order of magnitude more valid isomers on unseen test formulas than the baseline. These results fulfil the promise of online RL as a powerful paradigm for scalable tabula rasa exploration of the chemical configuration space.
Abstract Chemical analysis is a fundamental concept in chemistry, which is characterized by polysemy observed in both scientific and everyday language, which are both employed in science classrooms. Our work 
 Abstract Chemical analysis is a fundamental concept in chemistry, which is characterized by polysemy observed in both scientific and everyday language, which are both employed in science classrooms. Our work aims at developing a conceptual profile model of chemical analysis as a methodological tool for describing the heterogeneity of students’ ways of thinking about the concept of chemical analysis. In this study, we present our findings resulting from an inductive qualitative analysis of secondary data obtained from the historical and epistemological literature (sociocultural domain) and students’ alternative conceptions and thinking (ontogenetic domain) in a dialogic way. A preliminary classification of the ways of thinking about chemical analysis is proposed: chemical analysis as (a) everyday analysis, (b) alchemical analysis, (c) empirical analysis, (d) classical analysis, (e) classical instrumental analysis, and (f) a contemporary tool for society. Proposed categories of ways of thinking are established and stabilized by ontological, epistemological, and axiological commitments, which were identified during data analysis.
The study investigated the impact of the first principle approach (FPA) on students’ performance in determining limiting reagents in chemical stoichiometry. A quasi-experimental design, involving 120 science students from two 
 The study investigated the impact of the first principle approach (FPA) on students’ performance in determining limiting reagents in chemical stoichiometry. A quasi-experimental design, involving 120 science students from two colleges of education in Ghana, was adopted. Sixty (60) students each were randomly assigned to the experimental group (EG), which was taught using FPA, and the control group (CG), which followed traditional teaching approach (TTA). Data on students’ entry knowledge (EK) and their performance on algorithmic problems (AP) and conceptual problems (CP) were collected and analyzed using descriptive and inferential statistics. The mean scores for EK were moderate for both groups (EG: 66.00%; CG: 68.30%). After treatments, there was no statistically significant difference in the groups’ performance on AP. However, the EG significantly outperformed the CG on CP, indicating that FPA enhanced students’ conceptual understanding of limiting reagents. The findings suggest that FPA is an effective teaching strategy for fostering deeper conceptual understanding and problem-solving skills in stoichiometry. This study highlights the importance of incorporating FPA into chemistry education to improve students’ ability to determine limiting reagents.
Abstract Serendipity has long been a fundamental component of scientific research, particularly in the area of chemical synthesis. This idea, which is frequently connected to chance encounters and unexpected results, 
 Abstract Serendipity has long been a fundamental component of scientific research, particularly in the area of chemical synthesis. This idea, which is frequently connected to chance encounters and unexpected results, has led to the creation of new molecular structures, routes, and reactions. Serendipitous events have influenced the development of organic chemistry, from the unintentional discovery of important intermediates to the fortunate improvement of synthetic techniques. This review sheds in‐depth light on the often overlooked yet transformative role of chance observations and unexpected outcomes in shaping the landscape of modern synthetic chemistry. We have gathered intriguing accidental discoveries of organic processes and compounds from 2009 to the present. We believe that this article will undoubtedly inspire young researchers to examine their unexpected findings rather than dismiss them as useless.
Abstract Chemical calculations are one of the critical points in chemistry teaching at all levels of schools. The possible causes of students’ failure in solving selected chemical calculations are discussed 
 Abstract Chemical calculations are one of the critical points in chemistry teaching at all levels of schools. The possible causes of students’ failure in solving selected chemical calculations are discussed in the paper. There are suggestions for practical tasks that can support teaching. The tasks are focused on the solution composition and calculations from chemical equations, they are suitable for elementary and high school students.