Theoretical and Computational Chemistry - Theoretical Organic Chemistry
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Average local ionization energies: Significance and applications

Theoretical and Computational Chemistry - Theoretical Organic Chemistry ◽

10.1016/s1380-7323(98)80009-5 ◽

1998 ◽

pp. 189-202 ◽

Cited By ~ 5

Author(s):

Jane S. Murray ◽

Peter Politzer

Keyword(s):

Ionization Energies ◽

Average Local Ionization Energies

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Exploring reaction outcomes through the reactivity-selectivity principle estimated by density functional theory studies

Theoretical and Computational Chemistry - Theoretical Organic Chemistry ◽

10.1016/s1380-7323(98)80006-x ◽

1998 ◽

pp. 95-133 ◽

Cited By ~ 3

Author(s):

Branko S. Jursic

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Selectivity Principle

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Theoretical investigation of carbon nets and molecules

Theoretical and Computational Chemistry - Theoretical Organic Chemistry ◽

10.1016/s1380-7323(98)80014-9 ◽

1998 ◽

pp. 381-404 ◽

Cited By ~ 4

Author(s):

Alexandru T. Balaban

Keyword(s):

Theoretical Investigation

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Inter-relations between VB & MO theories for organic II-networks

Theoretical and Computational Chemistry - Theoretical Organic Chemistry ◽

10.1016/s1380-7323(98)80004-6 ◽

1998 ◽

pp. 33-50 ◽

Cited By ~ 3

Author(s):

D.J. Klein

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Cycloaddition reactions involving heterocyclic compounds as synthons in the preparation of valuable organic compounds. An effective combination of a computational study and synthetic applications of heterocycle transformations

Theoretical and Computational Chemistry - Theoretical Organic Chemistry ◽

10.1016/s1380-7323(98)80017-4 ◽

1998 ◽

pp. 501-579 ◽

Cited By ~ 1

Author(s):

Branko S. Jursic

Keyword(s):

Organic Compounds ◽

Heterocyclic Compounds ◽

Computational Study ◽

Cycloaddition Reactions ◽

Effective Combination

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Triplet photoreactions; Structural dependence of spin-orbit coupling and intersystem crossing in organic biradicals

Theoretical and Computational Chemistry - Theoretical Organic Chemistry ◽

10.1016/s1380-7323(98)80018-6 ◽

1998 ◽

pp. 581-610 ◽

Cited By ~ 7

Author(s):

M. Klessinger

Keyword(s):

Orbit Coupling ◽

Intersystem Crossing ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Structural Dependence

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Theoretical organic chemistry: Looking back in wonder

Theoretical and Computational Chemistry - Theoretical Organic Chemistry ◽

10.1016/s1380-7323(98)80003-4 ◽

1998 ◽

pp. 1-31 ◽

Cited By ~ 1

Author(s):

Jan J.C. Mulder

Keyword(s):

Organic Chemistry ◽

Looking Back ◽

Theoretical Organic Chemistry

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Dipole moments of aromatic heterocycles

Theoretical and Computational Chemistry - Theoretical Organic Chemistry ◽

10.1016/s1380-7323(98)80011-3 ◽

1998 ◽

pp. 233-258 ◽

Cited By ~ 15

Author(s):

Cyril Párkányi ◽

Jean-Jacques Aaron

Keyword(s):

Dipole Moments ◽

Aromatic Heterocycles

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A hardness and softness theory of bond energies and chemical reactivity

Theoretical and Computational Chemistry - Theoretical Organic Chemistry ◽

10.1016/s1380-7323(98)80007-1 ◽

1998 ◽

pp. 135-152 ◽

Cited By ~ 4

Author(s):

José L. Gázquez

Keyword(s):

Chemical Reactivity ◽

Bond Energies

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New developments in the analysis of vibrational spectra On the use of adiabatic internal vibrational modes

Theoretical and Computational Chemistry - Theoretical Organic Chemistry ◽

10.1016/s1380-7323(98)80012-5 ◽

1998 ◽

pp. 259-327 ◽

Cited By ~ 38

Author(s):

Dieter Cremer ◽

J. Andreas Larsson ◽

Elfi Kraka

Keyword(s):

Vibrational Spectra ◽

Vibrational Modes ◽

New Developments

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Theoretical and Computational Chemistry - Theoretical Organic ChemistryLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Elsevier

Average local ionization energies: Significance and applications

Exploring reaction outcomes through the reactivity-selectivity principle estimated by density functional theory studies

Theoretical investigation of carbon nets and molecules

Inter-relations between VB & MO theories for organic II-networks

Cycloaddition reactions involving heterocyclic compounds as synthons in the preparation of valuable organic compounds. An effective combination of a computational study and synthetic applications of heterocycle transformations

Triplet photoreactions; Structural dependence of spin-orbit coupling and intersystem crossing in organic biradicals

Theoretical organic chemistry: Looking back in wonder

Dipole moments of aromatic heterocycles

A hardness and softness theory of bond energies and chemical reactivity

New developments in the analysis of vibrational spectra On the use of adiabatic internal vibrational modes

Theoretical and Computational Chemistry - Theoretical Organic Chemistry
Latest Publications