(Q46644795)

23 December 2017

title

Proton transfer in a polar solvent from ring polymer reaction rate theory (English)

1 reference

23 December 2017

Rosana Collepardo-Guevara

author

object named as

Rosana Collepardo-Guevara

series ordinal

1

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David Manolopoulos

object named as

David E Manolopoulos

series ordinal

3

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author name string

Ian R Craig

series ordinal

2

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23 December 2017

language of work or name

English

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publication date

1 April 2008

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23 December 2017

Journal of Chemical Physics

published in

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23 December 2017

volume

128

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23 December 2017

issue

14

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23 December 2017

page(s)

144502

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23 December 2017

Path integral evaluation of the quantum instanton rate constant for proton transfer in a polar solvent

cites work

1 reference

Real time correlation function in a single phase space integral beyond the linearized semiclassical initial value representation.

21 January 2018

1 reference

Linearized semiclassical initial value time correlation functions using the thermal Gaussian approximation: applications to condensed phase systems.

21 January 2018

1 reference

Quantum statistics and classical mechanics: real time correlation functions from ring polymer molecular dynamics

21 January 2018

1 reference

Chemical reaction rates from ring polymer molecular dynamics.

21 January 2018

1 reference

Exploiting the isomorphism between quantum theory and classical statistical mechanics of polyatomic fluids

21 January 2018

1 reference

On the short-time limit of ring polymer molecular dynamics

21 January 2018

1 reference

Quantum tunnelling in a dissipative system

21 January 2018

1 reference

Statistical-Mechanical Theory of Irreversible Processes. I. General Theory and Simple Applications to Magnetic and Conduction Problems

21 January 2018

1 reference

The Activated Complex in Chemical Reactions

21 January 2018

1 reference

Molecular dynamics simulations at constant pressure and/or temperature

21 January 2018

1 reference

Current Status of Transition-State Theory

21 January 2018

1 reference

Variational transition state theory evaluation of the rate constant for proton transfer in a polar solvent

21 January 2018

1 reference

Generalized transition state theory in terms of the potential of mean force

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2883593

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23 December 2017

1 reference

23 December 2017