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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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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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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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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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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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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