Theoretical and Computational Chemistry - Theoretical Aspects of Chemical Reactivity
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Chapter 14 Quantum chemical topology and reactivity: A comparative static and dynamic study on a SN2 reaction

Theoretical and Computational Chemistry - Theoretical Aspects of Chemical Reactivity ◽

10.1016/s1380-7323(07)80015-x ◽

2007 ◽

pp. 287-300 ◽

Cited By ~ 1

Author(s):

Laurent Joubert ◽

Ilaria Ciofini ◽

Carlo Adamo

Keyword(s):

Quantum Chemical ◽

Dynamic Study ◽

Chemical Topology ◽

Sn2 Reaction ◽

Quantum Chemical Topology

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Chapter 10 Electronic structure and reactivity of aromatic metal clusters

Theoretical and Computational Chemistry - Theoretical Aspects of Chemical Reactivity ◽

10.1016/s1380-7323(07)80011-2 ◽

2007 ◽

pp. 203-218

Author(s):

Paulina González ◽

Jordi Poater ◽

Gabriel Merino ◽

Thomas Heine ◽

Miquel Solà ◽

...

Keyword(s):

Electronic Structure ◽

Metal Clusters

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Chapter 13 Chemical reactivity dynamics in ground and excited electronic states

Theoretical and Computational Chemistry - Theoretical Aspects of Chemical Reactivity ◽

10.1016/s1380-7323(07)80014-8 ◽

2007 ◽

pp. 269-286 ◽

Cited By ~ 7

Author(s):

P.K. Chattaraj ◽

U. Sarkar

Keyword(s):

Chemical Reactivity ◽

Electronic States ◽

Excited Electronic States

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Chapter 3 The breakdown of the maximum hardness and minimum polarizability principles for nontotally symmetric vibrations

Theoretical and Computational Chemistry - Theoretical Aspects of Chemical Reactivity ◽

10.1016/s1380-7323(07)80004-5 ◽

2007 ◽

pp. 31-45 ◽

Cited By ~ 1

Author(s):

Miquel Torrent-Sucarrat ◽

Lluís Blancafort ◽

Miquel Duran ◽

Josep M. Luis ◽

Miquel Solà

Keyword(s):

Maximum Hardness

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Chapter 7 Using the reactivity-selectivity descriptor Δ f(r) in organic chemistry

Theoretical and Computational Chemistry - Theoretical Aspects of Chemical Reactivity ◽

10.1016/s1380-7323(07)80008-2 ◽

2007 ◽

pp. 101-117 ◽

Cited By ~ 6

Author(s):

Christophe Morell ◽

André Grand ◽

Soledad Gutiérrez-Oliva, ◽

Alejandro Toro-Labbé

Keyword(s):

Organic Chemistry

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Chapter 5 Understanding and using the electron localization function

Theoretical and Computational Chemistry - Theoretical Aspects of Chemical Reactivity ◽

10.1016/s1380-7323(07)80006-9 ◽

2007 ◽

pp. 57-85 ◽

Cited By ~ 41

Author(s):

Patricio Fuentealba ◽

E. Chamorro ◽

Juan C. Santos

Keyword(s):

Electron Localization Function ◽

Electron Localization ◽

Localization Function

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Chapter 4 Classification of control space parameters for topological studies of reactivity and chemical reactions

Theoretical and Computational Chemistry - Theoretical Aspects of Chemical Reactivity ◽

10.1016/s1380-7323(07)80005-7 ◽

2007 ◽

pp. 47-56 ◽

Cited By ~ 1

Author(s):

Bernard Silvi ◽

Isabelle Fourré ◽

Mohammad Esmail Alikhani

Keyword(s):

Chemical Reactions ◽

Control Space

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Chapter 12 Theoretical design of electronically stabilized molecules containing planar tetracoordinate carbons

Theoretical and Computational Chemistry - Theoretical Aspects of Chemical Reactivity ◽

10.1016/s1380-7323(07)80013-6 ◽

2007 ◽

pp. 251-267

Author(s):

Alberto Vela ◽

Miguel A. Méndez-Rojas ◽

Gabriel Merino

Keyword(s):

Theoretical Design

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Chapter 8 The average local ionization energy: concepts and applications

Theoretical and Computational Chemistry - Theoretical Aspects of Chemical Reactivity ◽

10.1016/s1380-7323(07)80009-4 ◽

2007 ◽

pp. 119-137 ◽

Cited By ~ 17

Author(s):

Peter Politzer ◽

Jane S. Murray

Keyword(s):

Ionization Energy ◽

Average Local Ionization Energy

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Index

Theoretical and Computational Chemistry - Theoretical Aspects of Chemical Reactivity ◽

10.1016/s1380-7323(07)80017-3 ◽

2007 ◽

pp. 319-321

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Theoretical and Computational Chemistry - Theoretical Aspects of Chemical ReactivityLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Elsevier

Chapter 14 Quantum chemical topology and reactivity: A comparative static and dynamic study on a SN2 reaction

Chapter 10 Electronic structure and reactivity of aromatic metal clusters

Chapter 13 Chemical reactivity dynamics in ground and excited electronic states

Chapter 3 The breakdown of the maximum hardness and minimum polarizability principles for nontotally symmetric vibrations

Chapter 7 Using the reactivity-selectivity descriptor Δ f(r) in organic chemistry

Chapter 5 Understanding and using the electron localization function

Chapter 4 Classification of control space parameters for topological studies of reactivity and chemical reactions

Chapter 12 Theoretical design of electronically stabilized molecules containing planar tetracoordinate carbons

Chapter 8 The average local ionization energy: concepts and applications

Index

Theoretical and Computational Chemistry - Theoretical Aspects of Chemical Reactivity
Latest Publications