protonation energy
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Evaluation of the Protonation Energy of Molecules using Conceptual Density Functional Theoretical Reactivity Descriptors

Current Physical Chemistry ◽

10.2174/1877946806666161130125156 ◽

2017 ◽

Vol 7 (2) ◽

Author(s):

Sandip K. Rajak ◽

Nazmul Islam ◽

Dulal C. Ghosh

Keyword(s):

Density Functional ◽

Reactivity Descriptors ◽

Protonation Energy

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THE EVALUATION OF PROTONATION ENERGY OF MOLECULES IN TERMS OF QUANTUM THEORETICAL DESCRIPTORS

Theoretical and Computational Research in the 21st Century ◽

10.1201/b17629-17 ◽

2014 ◽

pp. 221-260

Keyword(s):

Protonation Energy

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Paradigms and paradoxes: analysis of the site of protonation of bifunctional organic compounds with the protonation energy/volume computation method

Structural Chemistry ◽

10.1007/s11224-008-9331-x ◽

2008 ◽

Vol 19 (4) ◽

pp. 609-611 ◽

Cited By ~ 6

Author(s):

Carol A. Deakyne ◽

Joel F. Liebman ◽

Evgeny A. Vlasov ◽

Yuri E. Zevatsky

Keyword(s):

Organic Compounds ◽

Computation Method ◽

Volume Computation ◽

Protonation Energy

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Basicity of carbonfunctional organosilicon compounds and mechanism of the α effect

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19831602 ◽

1983 ◽

Vol 48 (6) ◽

pp. 1602-1607 ◽

Cited By ~ 5

Author(s):

Robert Ponec ◽

Jan Kučera ◽

Václav Chvalovský

Keyword(s):

Proton Affinity ◽

Organosilicon Compounds ◽

Protonation Energy

On the basis of decomposition of the protonation energy resulting from Longuet-Higgins theory of proton affinity, the significant stereospecific effect of silyl substituents that manifests itself in basicity trends in a series of carbonfunctional organosilicon compounds has been analysed.

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ChemInform Abstract: STRUCTURAL STUDIES ON BIGUANIDE AND RELATED SPECIES. CORRELATION OF PROTONATION ENERGY WITH MOLECULAR STRUCTURE

Chemischer Informationsdienst ◽

10.1002/chin.197851065 ◽

1978 ◽

Vol 9 (51) ◽

Author(s):

A. A. PINKERTON ◽

D. SCHWARZENBACH

Keyword(s):

Molecular Structure ◽

Related Species ◽

Structural Studies ◽

Protonation Energy

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Structural studies on biguanide and related species. Correlation of protonation energy with molecular structure

Journal of the Chemical Society Dalton Transactions ◽

10.1039/dt9780000989 ◽

1978 ◽

pp. 989 ◽

Cited By ~ 21

Author(s):

A. Alan Pinkerton ◽

Dieter Schwarzenbach

Keyword(s):

Molecular Structure ◽

Related Species ◽

Structural Studies ◽

Protonation Energy

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protonation energyRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

Evaluation of the Protonation Energy of Molecules using Conceptual Density Functional Theoretical Reactivity Descriptors

THE EVALUATION OF PROTONATION ENERGY OF MOLECULES IN TERMS OF QUANTUM THEORETICAL DESCRIPTORS

Paradigms and paradoxes: analysis of the site of protonation of bifunctional organic compounds with the protonation energy/volume computation method

Basicity of carbonfunctional organosilicon compounds and mechanism of the α effect

ChemInform Abstract: STRUCTURAL STUDIES ON BIGUANIDE AND RELATED SPECIES. CORRELATION OF PROTONATION ENERGY WITH MOLECULAR STRUCTURE

Structural studies on biguanide and related species. Correlation of protonation energy with molecular structure

protonation energy
Recently Published Documents