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Literature DB >> 21848344

Classical valence bond approach by modern methods.

Wei Wu¹, Peifeng Su, Sason Shaik, Philippe C Hiberty.

Abstract

Year: 2011 PMID： 21848344 DOI： 10.1021/cr100228r

Source DB: PubMed Journal: Chem Rev ISSN： 0009-2665 Impact factor: 60.622

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11 in total

Review 1. Metal Ion Modeling Using Classical Mechanics.

Authors: Pengfei Li; Kenneth M Merz
Journal: Chem Rev Date: 2017-01-03 Impact factor: 60.622

2. The roles of charge transfer and polarization in non-covalent interactions: a perspective from ab initio valence bond methods.

Authors: Yirong Mo; David Danovich; Sason Shaik
Journal: J Mol Model Date: 2022-08-25 Impact factor: 2.172

3. The Third Dimension of a More O'Ferrall-Jencks Diagram for Hydrogen Atom Transfer in the Isoelectronic Hydrogen Exchange Reactions of (PhX)(2)H(•) with X = O, NH, and CH(2).

Authors: Alessandro Cembran; Makenzie R Provorse; Changwei Wang; Wei Wu; Jiali Gao
Journal: J Chem Theory Comput Date: 2012-09-04 Impact factor: 6.006

4. Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character.

Authors: Jonathan L Marshall; Kazuyuki Uchida; Conerd K Frederickson; Christian Schütt; Andrew M Zeidell; Katelyn P Goetz; Tristan W Finn; Karol Jarolimek; Lev N Zakharov; Chad Risko; Rainer Herges; Oana D Jurchescu; Michael M Haley
Journal: Chem Sci Date: 2016-05-13 Impact factor: 9.825

Classical valence bond approach by modern methods.

Review 1. Metal Ion Modeling Using Classical Mechanics.

2. The roles of charge transfer and polarization in non-covalent interactions: a perspective from ab initio valence bond methods.

3. The Third Dimension of a More O'Ferrall-Jencks Diagram for Hydrogen Atom Transfer in the Isoelectronic Hydrogen Exchange Reactions of (PhX)(2)H(•) with X = O, NH, and CH(2).

4. Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character.

5. Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry.

6. A Valence-Bond-Based Multiconfigurational Density Functional Theory: The λ-DFVB Method Revisited.

7. Resonance-assisted/impaired anion-π interaction: towards the design of novel anion receptors.

Review 8. Recent advances in QM/MM free energy calculations using reference potentials.

9. Intramolecular multi-bond strain: the unrecognized side of the dichotomy of conjugated systems.

10. On the Nature of the Bonding in Coinage Metal Halides.