(Q50848630)

23 March 2018

title

The Menshutkin reaction in the gas phase and in aqueous solution: a valence bond study. (English)

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23 March 2018

author name string

Peifeng Su

1

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23 March 2018

Fuming Ying

2

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23 March 2018

Wei Wu

3

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23 March 2018

Philippe C Hiberty

4

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23 March 2018

Sason Shaik

5

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23 March 2018

publication date

1 December 2007

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23 March 2018

published in

ChemPhysChem

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23 March 2018

volume

8

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23 March 2018

issue

18

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23 March 2018

page(s)

2603-2614

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23 March 2018

Ab initio and DFT benchmark study for nucleophilic substitution at carbon (SN2@C) and silicon (SN2@Si)

cites work

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700626

7 January 2021

Evaluation of the SCF Combination of KS-DFT and 3D-RISM-KH; Solvation Effect on Conformational Equilibria, Tautomerization Energies, and Activation Barriers.

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700626

7 January 2021

Steric retardation of SN2 reactions in the gas phase and solution

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700626

7 January 2021

Model identity SN2 reactions CH3X + X- (X = F, Cl, CN, OH, SH, NH2, PH2): Marcus theory analyzed

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700626

7 January 2021

Deuterium Kinetic Isotope Effects and Their Temperature Dependence in the Gas-Phase SN2 Reactions X- + CH3Y .fwdarw. CH3X + Y- (X, Y = Cl, Br, I)

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700626

7 January 2021

Unusual solvent effect on a SN2 reaction. A quantum-mechanical and kinetic study of the Menshutkin reaction between 2-amino-1-methylbenzimidazole and iodomethane in the gas phase and in acetonitrile.

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700626

7 January 2021

Improving the QM/MM Description of Chemical Processes: A Dual Level Strategy To Explore the Potential Energy Surface in Very Large Systems

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700626

7 January 2021

A Correlation of Reaction Rates

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700626

7 January 2021

The valence‐bond self‐consistent field method (VB–SCF): Theory and test calculations

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700626

7 January 2021

Quantitative valence bond computations of curve-crossing diagrams for model atom exchange reactions

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700626

7 January 2021

Hybrid ab initio VB/MM method--a valence bond ride through classical landscapes

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700626

7 January 2021

Identity SN2 reactions X- + CH3X --> XCH3 + X- (X=F, Cl, Br, and I) in vacuum and in aqueous solution: a valence bond study

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700626

7 January 2021

Valence Bond Diagrams and Chemical Reactivity

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700626

7 January 2021

Breathing-orbital valence bond method - a modern valence bond method that includes dynamic correlation

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700626

7 January 2021

The electronic structure of conjugated systems. VI

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700626

7 January 2021

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700626

7 January 2021

Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700626

7 January 2021

XMVB: a program for ab initio nonorthogonal valence bond computations

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700626

7 January 2021

Valence bond calculations of hydrogen transfer reactions: a general predictive pattern derived from theory

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700626

7 January 2021

Catalytic Carbon−Halogen Bond Activation: Trends in Reactivity, Selectivity, and Solvation

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700626

7 January 2021

Transition-State Energy and Position along the Reaction Coordinate in an Extended Activation Strain Model

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700626

7 January 2021

Identifiers

DOI

10.1002/CPHC.200700626

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23 March 2018

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23 March 2018