Chemistry › Physical and Theoretical Chemistry

History and advancements in chemistry

Works Count: 221969

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This cluster of papers focuses on the application of partially ordered sets in chemistry research, particularly in the context of ranking chemical substances, multi-criteria analysis, and sustainable development goals. It explores topics such as the periodic table, quantitative superstructure/activity relationships, environmental health, and decision support systems.

Keywords

Partially Ordered Sets; Periodic Table; Chemical Substances; Multi-Criteria Analysis; Environmental Health; Quantitative Superstructure/Activity Relationships; Sustainable Development Goals; Decision Support; Lanthanides; QSAR

Official Methods of Analysis of the Association of Official Analytical Chemists

1971-02-01

W Horwitz , P. Chichilo , H. Reynolds

Advanced inorganic chemistry

1999-10-01

F.A. Cotton

For more than a quarter century, Cotton and Wilkinson's Advanced Inorganic Chemistry has been the source that students and professional chemists have turned to for the background needed to understand … For more than a quarter century, Cotton and Wilkinson's Advanced Inorganic Chemistry has been the source that students and professional chemists have turned to for the background needed to understand current research literature in inorganic chemistry and aspects of organometallic chemistry. Like its predecessors, this updated Sixth Edition is organized around the periodic table of elements and provides a systematic treatment of the chemistry of all chemical elements and their compounds. It incorporates important recent developments with an emphasis on advances in the interpretation of structure, bonding, and reactivity.From the reviews of the Fifth Edition:* The first place to go when seeking general information about the chemistry of a particular element, especially when up-to-date, authoritative information is desired. -Journal of the American Chemical Society.* Every student with a serious interest in inorganic chemistry should have [this book]. -Journal of Chemical Education.* A mine of information . . . an invaluable guide. -Nature.* The standard by which all other inorganic chemistry books are judged.-Nouveau Journal de Chimie.* A masterly overview of the chemistry of the elements.-The Times of London Higher Education Supplement.* A bonanza of information on important results and developments which could otherwise easily be overlooked in the general deluge of publications. -Angewandte Chemie.

The Chemistry of Organic Silicon Compounds

1989-01-25

Zvi Rappoport , Yitzhak Apeloig

Historical overview and comparison of silicon with carbon, J.Y.Corey theoretical aspects of organosilicon compounds, Y.Apeloig structural chemistry of organic silicon compounds, W.S.Sheldrick dynamic stereochemistry at silicon, R.J.P.Corriu et al thermochemistry, … Historical overview and comparison of silicon with carbon, J.Y.Corey theoretical aspects of organosilicon compounds, Y.Apeloig structural chemistry of organic silicon compounds, W.S.Sheldrick dynamic stereochemistry at silicon, R.J.P.Corriu et al thermochemistry, R.Walsh analysis of organosilicon compounds, T.R.C.Crompton positive and negative ion chemistry of silicon-containing molecules in the gas phase, H.Schwarz NMR spectroscopy of organosilicon compounds, E.A.Williams photoelectron spectra of silicon compounds, H.Bock and B.Solouki general synthetic pathways to organosilicon compounds, L.Birkofer and O.Stuhl recent synthetic application of organosilanes, G.L.Larson acidity, basicity and complex formation of organosilicon compounds, A.R.Bassindale and P.G.Taylor reaction mechanisms of nucleophilic attacks at silicon, A.R.Bassindale and P.G.Taylor activating and directive effects of silicon, A.R.Bassindale and P.G.Taylor the photochemistry of organosilicon compounds, A.G.Brook trivalent silyl ions, J.B.Lambert and W.J.Schulz Jr multiple bonds to silicon, G.Raabe and J.Michl bio-organic chemistry, R.Tacke and J.Linoh polysilanes, R.West hypervalent silicon compounds, R.J.P.Corriu and J.C.Young siloxane polymers and copolymers, T.C.Kendrick organosilicon derivatives of phosphorus arsenic, antimony and bismuth, D.A.Armitage chemistry of compounds with silicon-sulphur, silicon-selenium and silicon-tellurium bonds, D.A.Armitage transition-metal silyl derivatives, T.D.Tilley the hydrosilylation reaction, I.Ojima.

Methods of Electronic Structure Theory

1977-01-01

Henry F. Schaefer

Comprehensive Inorganic Chemistry

1973-01-01

John C. Bailar , H. J. Emeléus , Sir Ronald Nyholm +1 more

Atoms in molecules : a quantum theory

1990-01-01

Richard F. W. Bader

List of symbols 1. Atoms in chemistry 2. Atoms and the topology of the charge desnity 3. Molecular structure and its change 4. Mathematical models of structural change 5. The … List of symbols 1. Atoms in chemistry 2. Atoms and the topology of the charge desnity 3. Molecular structure and its change 4. Mathematical models of structural change 5. The quantum atom 6. The mechanics of an atom in a molecule 7. Chemical models and the Laplacian of the charge density 8. The action principle for a quantunm subsystem Appendix - Tables of data Index

Handbook of Stochastic Methods for Physics, Chemistry and the Natural Sciences

1985-01-01

C. W. Gardiner

A Correlation of Reaction Rates

1955-01-01

George S. Hammond

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTA Correlation of Reaction RatesGeorge S. HammondCite this: J. Am. Chem. Soc. 1955, 77, 2, 334–338Publication Date (Print):January 1, 1955Publication History Published online1 May 2002Published inissue 1 … ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTA Correlation of Reaction RatesGeorge S. HammondCite this: J. Am. Chem. Soc. 1955, 77, 2, 334–338Publication Date (Print):January 1, 1955Publication History Published online1 May 2002Published inissue 1 January 1955https://pubs.acs.org/doi/10.1021/ja01607a027https://doi.org/10.1021/ja01607a027research-articleACS PublicationsRequest reuse permissionsArticle Views7092Altmetric-Citations3078LEARN 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

The energy gap law for radiationless transitions in large molecules

1970-02-01

R. Englman , Joshua Jortner

In this paper we present a unified treatment of non-radiative decay processes in large molecules which involve either electronic relaxation between two electronic states or unimolecular rearrangement reactions in excited … In this paper we present a unified treatment of non-radiative decay processes in large molecules which involve either electronic relaxation between two electronic states or unimolecular rearrangement reactions in excited electronic states. The present treatment is analogous to the formalism previously applied for the line shape problem in nuclear recoil and in the optical spectra of solids. We were able to derive theoretical expressions for the non-radiative decay probability so that an arbitrary number of different molecular vibrations can be incorporated in the vibrational overlap factors. The general expressions obtained herein can be reduced to analytical form for two limiting cases, which we call the strong coupling case (which corresponds to a substantial horizontal displacement of the potential energy surfaces of the two electronic states) and the weak coupling limit (whereupon the relative horizontal displacement of the two potential energy surfaces is small). Quantitative criteria for the applicability of these two coupling limits are provided. In the strong coupling limit the transition probability is determined by a gaussian function of the energy parameter (ΔE - EM ), where ΔE is the energy gap between the origins of the two electronic states and 2EM is the Stokes shift. This limit exhibits a generalized Arrhenius type temperature behaviour whereupon the transition probability depends exponentially on the energy barrier for the intersection of the two potential surfaces. At low temperatures the transition probability is determined by the mean vibrational frequency and is thus expected to reveal only a moderately weak deuterium isotope effect. The weak coupling limit reveals an exponential (or rather superexponential) dependence of the transition probability on the energy gap ΔE. In this limit the transition probability is dominated by the highest vibrational frequency (e.g. the C-H or C-D vibrations) and thus will reveal a marked isotope effect. When semi-empirical estimates of the pre-exponential factors are provided, the approximate theoretical expression for the weak coupling limit is found to be consistent with the available experimental data on electronic relaxation in large organic molecules.

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

1988-02-01

David Weininger

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSMILES, a chemical language and information system. 1. Introduction to methodology and encoding rulesDavid WeiningerCite this: J. Chem. Inf. Comput. Sci. 1988, 28, 1, 31–36Publication Date (Print):February … ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSMILES, a chemical language and information system. 1. Introduction to methodology and encoding rulesDavid WeiningerCite this: J. Chem. Inf. Comput. Sci. 1988, 28, 1, 31–36Publication Date (Print):February 1, 1988Publication History Published online1 May 2002Published inissue 1 February 1988https://pubs.acs.org/doi/10.1021/ci00057a005https://doi.org/10.1021/ci00057a005research-articleACS PublicationsRequest reuse permissionsArticle Views12790Altmetric-Citations4077LEARN 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

Natural hybrid orbitals

1980-11-01

J. P. Foster , Frank Weinhold

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTNatural hybrid orbitalsJ. P. Foster and F. WeinholdCite this: J. Am. Chem. Soc. 1980, 102, 24, 7211–7218Publication Date (Print):November 19, 1980Publication History Published online1 May 2002Published inissue … ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTNatural hybrid orbitalsJ. P. Foster and F. WeinholdCite this: J. Am. Chem. Soc. 1980, 102, 24, 7211–7218Publication Date (Print):November 19, 1980Publication History Published online1 May 2002Published inissue 19 November 1980https://pubs.acs.org/doi/10.1021/ja00544a007https://doi.org/10.1021/ja00544a007research-articleACS PublicationsRequest reuse permissionsArticle Views6624Altmetric-Citations4412LEARN 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

Structural Inorganic Chemistry

1971-02-01

Alexander Frank . Wells

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Atoms in Molecules — a Quantum Theory

1996-01-01

W.J. Orville-Thomas

The Conservation of Orbital Symmetry

1969-11-01

R. B. Woodward , Roald Hoffmann

New Developments in Molecular Orbital Theory

1951-04-01

Clemens Roothaan

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Encyclopedia of Computational Chemistry

1999-09-30

Anselm H. C. Horn , Harald Lanig

Atomic Structure Calculations

1964-01-01

Frank Herman , Sherwood Skillman , JOHN ARENTS

Die Konstitution der Mischkristalle und die Raumf�llung der Atome

1921-01-01

L. Vegard

Molecular Spectra and Molecular Structure

1979-01-01

Klaus Huber , G. Herzberg

A quantum theory of molecular structure and its applications

1991-07-01

Richard F. W. Bader

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTA quantum theory of molecular structure and its applicationsRichard F. W. BaderCite this: Chem. Rev. 1991, 91, 5, 893–928Publication Date (Print):July 1, 1991Publication History Published online1 May … ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTA quantum theory of molecular structure and its applicationsRichard F. W. BaderCite this: Chem. Rev. 1991, 91, 5, 893–928Publication Date (Print):July 1, 1991Publication History Published online1 May 2002Published inissue 1 July 1991https://pubs.acs.org/doi/10.1021/cr00005a013https://doi.org/10.1021/cr00005a013research-articleACS PublicationsRequest reuse permissionsArticle Views9817Altmetric-Citations5572LEARN 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

The Activated Complex in Chemical Reactions

1935-02-01

Henry Eyring

The calculation of absolute reaction rates is formulated in terms of quantities which are available from the potential surfaces which can be constructed at the present time. The probability of … The calculation of absolute reaction rates is formulated in terms of quantities which are available from the potential surfaces which can be constructed at the present time. The probability of the activated state is calculated using ordinary statistical mechanics. This probability multiplied by the rate of decomposition gives the specific rate of reaction. The occurrence of quantized vibrations in the activated complex, in degrees of freedom which are unquantized in the original molecules, leads to relative reaction rates for isotopes quite different from the rates predicted using simple kinetic theory. The necessary conditions for the general statistical treatment to reduce to the usual kinetic treatment are given.

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

1970-10-01

Thom H. Dunning

The contraction of Gaussian basis functions for use in molecular calculations is investigated by considering the effects of contraction on the energies and one-electron properties of the water and nitrogen … The contraction of Gaussian basis functions for use in molecular calculations is investigated by considering the effects of contraction on the energies and one-electron properties of the water and nitrogen molecules. The emphasis is on obtaining principles which can be used to predict optimal contraction schemes for other systems without the necessity of such exhaustive calculations. Using these principles, contractions are predicted for the first-row atoms.

Ab initio molecular orbital theory

1976-11-01

Warren J. Hehre

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAb initio molecular orbital theoryWarren J. HehreCite this: Acc. Chem. Res. 1976, 9, 11, 399–406Publication Date (Print):November 1, 1976Publication History Published online1 May 2002Published inissue 1 November … ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAb initio molecular orbital theoryWarren J. HehreCite this: Acc. Chem. Res. 1976, 9, 11, 399–406Publication Date (Print):November 1, 1976Publication History Published online1 May 2002Published inissue 1 November 1976https://pubs.acs.org/doi/10.1021/ar50107a003https://doi.org/10.1021/ar50107a003research-articleACS PublicationsRequest reuse permissionsArticle Views3547Altmetric-Citations280LEARN 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

Lange's handbook of chemistry

1992-12-01

John A. Dean

Lange's Handbook has served as a leading source of reliable chemical information and data for chemists, engineers, and other technical specialists since l934. This encyclopedic work includes authoritative coverage of … Lange's Handbook has served as a leading source of reliable chemical information and data for chemists, engineers, and other technical specialists since l934. This encyclopedic work includes authoritative coverage of atomic and molecular structure, organic chemistry (revised), inorganic, analytical, and electro- chemistry, mathematics as applied to chemistry, and more. It also includes nomenclature consistent with recommendations of the IUPAC Commission rules.

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�ber den anschaulichen Inhalt der quantentheoretischen Kinematik und Mechanik

1927-03-01

W. Heisenberg

Über Elementarakte mit zwei Quantensprüngen

1931-01-01

Maria Göppert‐Mayer

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Stochastic Processes in Physics and Chemistry

2007-01-01

N. G. van Kampen , William P. Reinhardt

Relativistic effects in structural chemistry

1988-05-01

Pekka Pyykkö

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTRelativistic effects in structural chemistryPekka PyykkoCite this: Chem. Rev. 1988, 88, 3, 563–594Publication Date (Print):May 1, 1988Publication History Published online1 May 2002Published inissue 1 May 1988https://doi.org/10.1021/cr00085a006Request reuse … ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTRelativistic effects in structural chemistryPekka PyykkoCite this: Chem. Rev. 1988, 88, 3, 563–594Publication Date (Print):May 1, 1988Publication History Published online1 May 2002Published inissue 1 May 1988https://doi.org/10.1021/cr00085a006Request reuse permissionsArticle Views10626Altmetric-Citations2600LEARN 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-Alertsclose Get e-Alerts

A survey of Hammett substituent constants and resonance and field parameters

1991-03-01

Corwin Hansch , Albert J. Leo , R. W. TAFT

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTA survey of Hammett substituent constants and resonance and field parametersCorwin. Hansch, A. Leo, and R. W. TaftCite this: Chem. Rev. 1991, 91, 2, 165–195Publication Date (Print):March … ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTA survey of Hammett substituent constants and resonance and field parametersCorwin. Hansch, A. Leo, and R. W. TaftCite this: Chem. Rev. 1991, 91, 2, 165–195Publication Date (Print):March 1, 1991Publication History Published online1 May 2002Published inissue 1 March 1991https://pubs.acs.org/doi/10.1021/cr00002a004https://doi.org/10.1021/cr00002a004research-articleACS PublicationsRequest reuse permissionsArticle Views63411Altmetric-Citations7091LEARN 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

Official Methods of Analysis of

1980-02-01

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTOfficial Methods of Analysis ofCite this: Anal. Chem. 1980, 52, 2, 148APublication Date (Print):February 1, 1980Publication History Published online31 May 2012Published inissue 1 February 1980https://doi.org/10.1021/ac50052a726RIGHTS & PERMISSIONSArticle … ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTOfficial Methods of Analysis ofCite this: Anal. Chem. 1980, 52, 2, 148APublication Date (Print):February 1, 1980Publication History Published online31 May 2012Published inissue 1 February 1980https://doi.org/10.1021/ac50052a726RIGHTS & PERMISSIONSArticle Views435Altmetric-Citations8LEARN 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 (758 KB) Get e-Alerts Get e-Alerts

THE CONSTITUTION AND FUNDAMENTAL PROPERTIES OF SOLIDS AND LIQUIDS. PART I. SOLIDS.

1916-11-01

Irving Langmuir

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTTHE CONSTITUTION AND FUNDAMENTAL PROPERTIES OF SOLIDS AND LIQUIDS. PART I. SOLIDS.Irving LangmuirCite this: J. Am. Chem. Soc. 1916, 38, 11, 2221–2295Publication Date (Print):November 1, 1916Publication History … ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTTHE CONSTITUTION AND FUNDAMENTAL PROPERTIES OF SOLIDS AND LIQUIDS. PART I. SOLIDS.Irving LangmuirCite this: J. Am. Chem. Soc. 1916, 38, 11, 2221–2295Publication Date (Print):November 1, 1916Publication History Published online1 May 2002Published inissue 1 November 1916https://pubs.acs.org/doi/10.1021/ja02268a002https://doi.org/10.1021/ja02268a002research-articleACS PublicationsRequest reuse permissionsArticle Views12962Altmetric-Citations7584LEARN 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

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Handbook of Chemistry and Physics.

1949-07-01

Charles D. Hodgman , S. C. Lind

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTHandbook of Chemistry and Physics.Charles D. Hodgman and S. C. LindCite this: J. Phys. Chem. 1949, 53, 7, 1139Publication Date (Print):July 1, 1949Publication History Published online1 May … ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTHandbook of Chemistry and Physics.Charles D. Hodgman and S. C. LindCite this: J. Phys. Chem. 1949, 53, 7, 1139Publication Date (Print):July 1, 1949Publication History Published online1 May 2002Published inissue 1 July 1949https://doi.org/10.1021/j150472a018RIGHTS & PERMISSIONSArticle Views1458Altmetric-Citations18LEARN 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 (109 KB) Get e-Alerts

- Analytic combinatorics

2015-09-18

Analytic Combinatorics is a self-contained treatment of the mathematics underlying the analysis of discrete structures, which has emerged over the past several decades as an essential tool in the understanding … Analytic Combinatorics is a self-contained treatment of the mathematics underlying the analysis of discrete structures, which has emerged over the past several decades as an essential tool in the understanding of properties of computer programs and scientific models with applications in physics, biology and chemistry. Thorough treatment of a large number of classical applications is an essential aspect of the presentation. Written by the leaders in the field of analytic combinatorics, this text is certain to become the definitive reference on the topic. The text is complemented with exercises, examples, appendices and notes to aid understanding therefore, it can be used as the basis for an advanced undergraduate or a graduate course on the subject, or for self-study.

Encyclopedia of Computational Chemistry

1998-09-25

Structural Inorganic Chemistry

1985-02-01

Colin Eaborn

CRC Handbook of Chemistry and Physics

2016-06-24

Proudly serving the scientific community for over a century, this 97th edition of the CRC Handbook of Chemistry and Physics is an update of a classic reference, mirroring the growth … Proudly serving the scientific community for over a century, this 97th edition of the CRC Handbook of Chemistry and Physics is an update of a classic reference, mirroring the growth and direction of science. This venerable work continues to be the most accessed and respected scientific reference in the world. An authoritative resource consisting of tables of data and current international recommendations on nomenclature, symbols, and units, its usefulness spans not only the physical sciences but also related areas of biology, geology, and environmental science. The 97th edition of the Handbook includes 20 new or updated tables along with other updates and expansions. It is now also available as an eBook. This reference puts physical property data and mathematical formulas used in labs and classrooms every day within easy reach. &nbsp

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Official methods of analysis of the association of official analytical chemists

1991-01-01

Ullmann's Encyclopedia of Industrial Chemistry

2000-06-15

CRC Handbook of Chemistry and Physics

1992-04-01

Devendra Leena P

Ullmann's Encyclopedia of Industrial Chemistry

2012-11-01

Parameterized Complexity

1999-01-01

Rodney G. Downey , Michael R. Fellows

Atoms in Molecules

1990-12-13

Richard F. W. Bader

Abstract The molecular structure hypothesis - that a molecule is a collection of atoms linked by a network of bonds - was forged in the crucible of nineteenth-century experimental chemistry … Abstract The molecular structure hypothesis - that a molecule is a collection of atoms linked by a network of bonds - was forged in the crucible of nineteenth-century experimental chemistry and has continued to serve as the principal means of ordering and classifying the observations of chemistry. There is a difficulty with the hypothesis, however, in that it is not related directly to the physics which governs the motions of the nuclei and electrons that make up the atoms and the bonds. It is the purpose of this important new book to show that a theory can be developed to underpin the molecular structure hypothesis - that the atoms in a molecule are real, with properties predicted and defined by the laws of quantum mechanics, and that the structure their presence imparts to a molecule is indeed a consequence of the underlying physics. As a result the classification based upon the concept of atoms in molecules is freed from its empirical constraints and the full predictive power of quantum mechanics. As a result the full predictive power of quantum mechanics can be incorporated into the resulting theory - a theory of atoms in molecules. The book is aimed at those scientists responsible for performing the experiments and collecting the observations on the properties of matter at the atomic level, in the belief that the transformation of qualitative concepts into a quantitative theory will serve to deepen our understanding of chemistry.

A text-book of quantitative inorganic analysis

1963-06-01

F. Fairbrother

Celebrating the anniversary of Michael Faraday’s discovery of benzene

2025-06-24

| Nature

From teaching experience. XVII. Borders and Curie’s limit groups

2025-06-24

Yuri Voytehovskiy | Vestnik of Geosciences

When closing a finite linear ornament into a ring, translation along a straight line turns into rotation around a finite-order symmetry axis. A natural analogy between the symmetry groups of … When closing a finite linear ornament into a ring, translation along a straight line turns into rotation around a finite-order symmetry axis. A natural analogy between the symmetry groups of crystallographic borders and Curie’s limit symmetry groups with one ∞ axis arises on an endless ring. But the former are seven and the latter are five. Another two are isolated in the paper from the limit groups ∞/m of rotating and ∞/mm of common cylinders. Thereby a mutually unambiguous correspondence has been achieved. The example is recommended for consideration in the university course of crystallography on the topics «Symmetry groups of borders» and «Curie’s limit groups».

Machine Learning Interatomic Potential‐Enabled Discovery of Chlorofullerenes

2025-06-23

Zhiliang Qiu , Weiwei Wang , Qi Yang +3 more | Chemistry - A European Journal

Chlorination is an effective method for stabilizing fullerenes with pentagon adjacencies, transforming reactive sp2 carbon sites into sp3 hybridization to release local strain and reorganize orbital and spin distributions. Yet, … Chlorination is an effective method for stabilizing fullerenes with pentagon adjacencies, transforming reactive sp2 carbon sites into sp3 hybridization to release local strain and reorganize orbital and spin distributions. Yet, the immense variety of fullerene isomers and their diverse chlorination sites pose significant challenges for accurate structural prediction. This study introduces a DFT-accurate machine learning potential (MLP) for the C-Cl system, facilitating high-throughput screening of chlorinated fullerenes. The MLP precisely replicates a range of experimentally identified chlorofullerenes and establishes correlations between parent fullerenes and their chlorinated derivatives in terms of structural features and stability, offering theoretical insights into the formation principles of chlorofullerenes.

Editorial: 100 Years of Quantum Mechanics - All About Molecules

2025-06-23

Edit Mátyus , Francesco A. Evangelista | Journal of Chemical Theory and Computation

Atoms

2025-06-19

| Cambridge University Press eBooks

Atoms

2025-06-19

Nick Brown | Archives of Disease in Childhood

Is relativistic quantum chemistry a good theory of everything?

2025-06-19

Pekka Pyykkö | Pure and Applied Chemistry

Abstract The literature on relativistic quantum chemistry is briefly reviewed. The meaning of the main physical terms is qualitatively discussed. The ionization potential and electron affinity of a gold atom … Abstract The literature on relativistic quantum chemistry is briefly reviewed. The meaning of the main physical terms is qualitatively discussed. The ionization potential and electron affinity of a gold atom are discussed as existing examples on high-accuracy calculations. Very accurate calculations exist for 2-electron atoms. The hyperfine structure in the HD and D 2 molecules was used by Pachucki et al., to obtain an improved deuteron quadrupole moment, Q . The remaining, so far excluded, physical contributions are briefly listed. A short answer to the title question is: ‘Probably yes’. Finally, a comment is made on the possible connection, or lack of one, between parity non-conservation and the handedness of life.

The Chain Reaction – the Fifth Element of Group Dynamics

2025-06-18

Stela Stoyanova | Diogenes

LA CONSTANTE DE STRUCTURE FINE

2025-06-17

TWITE EDMOND | International Journal For Multidisciplinary Research

The UNIVERSE is coordinated according Pi and "e" numbers. All the physical fondamental constants are the expression of Pi an "e" numbers and the fine structure constante is the base … The UNIVERSE is coordinated according Pi and "e" numbers. All the physical fondamental constants are the expression of Pi an "e" numbers and the fine structure constante is the base constant from which all the constants are deducted.

Chemical Reaction Networks

2025-06-09

| Cambridge University Press eBooks

Understanding Chemical Reactivity

2025-06-04

Rabab M. Nasser | IGI Global eBooks

Understanding the fundamental principles of chemical reactivity is crucial in the field of organic chemistry. This chapter explores three key concepts that govern the reactivity of organic compounds: acids, bases, … Understanding the fundamental principles of chemical reactivity is crucial in the field of organic chemistry. This chapter explores three key concepts that govern the reactivity of organic compounds: acids, bases, and nucleophiles. The Brønsted-Lowry theory is introduced, which defines acids as proton donors and bases as proton acceptors. The strength of acids and bases, as measured by their pKa and pKb values, is discussed in detail, highlighting how it determines their ability to participate in proton-transfer reactions. Factors influencing acid and base strength, such as electronegativity, resonances, and inductive effects, were examined. The chapter also covers the role of nucleophiles in organic transformations, emphasizing how their reactivity depends on factors like charge, polarizability, and steric effects. Understanding the interplay between acids, bases, and nucleophiles provides a foundation for predicting and controlling the outcomes of a wide range of organic reactions, enabling the rational design of synthetic strategies and the development of new chemical processes.

Association of Applied Geochemists

2025-06-01

| Elements

Origins of Elements Magazine – Part I: Conception (April 2001–November 2003)

2025-06-01

| Elements

Quantum advantage

2025-06-01

Matin Durrani | Physics World

The quantum-technology sector is looking for more than just PhD physicists. The quantum-technology sector is looking for more than just PhD physicists.

ROBERT RAY HAMILTON FOUNTAIN

2025-05-31

| Fordham University Press eBooks

Rezension: Chemistry Without Atoms – The Theoretical Deliberations of František Wald

2025-05-30

Mathias Seifert | Nachrichten aus der Chemie

Rezensionen: Lives in Chemistry: Band 11 und 12

2025-05-30

Christian Remenyi | Nachrichten aus der Chemie

Exploring the local landscape in the triangle network

2025-05-29

Elisa Bäumer , Victor Gitton , Tamás Kriváchy +2 more | Physical review. A/Physical review, A

Characterizing the set of distributions that can be realized in the triangle network is a notoriously difficult problem. In this work, we investigate inner approximations of the set of local … Characterizing the set of distributions that can be realized in the triangle network is a notoriously difficult problem. In this work, we investigate inner approximations of the set of local (classical) distributions of the triangle network. A quantum distribution that appears to be nonlocal is the elegant joint measurement (EJM) [], which motivates us to study distributions having the same symmetries as the EJM. We compare analytical and neural-network-based inner approximations and find a remarkable agreement between the two methods. Using neural network tools, we also conjecture network Bell inequalities that give a trade-off between the levels of correlation and symmetry that a local distribution may feature. Our results considerably strengthen the conjecture that the EJM is nonlocal. Published by the American Physical Society 2025