(Q46917258)

26 December 2017

title

Sequential quadratic programming method for determining the minimum energy path. (English)

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26 December 2017

main subject

quadratic programming

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Steven K Burger

1

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26 December 2017

Weitao Yang

series ordinal

2

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26 December 2017

language of work or name

English

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publication date

1 October 2007

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26 December 2017

Journal of Chemical Physics

published in

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26 December 2017

volume

127

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26 December 2017

page(s)

164107

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26 December 2017

issue

16

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26 December 2017

QM/MM Minimum Free Energy Path: Methodology and Application to Triosephosphate Isomerase

cites work

1 reference

Hamilton-Jacobi equation for the least-action/least-time dynamical path based on fast marching method.

21 January 2018

1 reference

Automatic integration of the reaction path using diagonally implicit Runge-Kutta methods.

21 January 2018

1 reference

A growing string method for determining transition states: comparison to the nudged elastic band and string methods

21 January 2018

1 reference

String method for the study of rare events

21 January 2018

1 reference

Simplified and improved string method for computing the minimum energy paths in barrier-crossing events.

21 January 2018

1 reference

Quadratic string method for determining the minimum-energy path based on multiobjective optimization.

21 January 2018

1 reference

The reaction path intrinsic reaction coordinate method and the Hamilton-Jacobi theory.

21 January 2018

1 reference

Reaction pathways and projection operators: application to string methods.

21 January 2018

1 reference

The protein backbone makes important contributions to 4-oxalocrotonate tautomerase enzyme catalysis: understanding from theory and experiment

21 January 2018

1 reference

Exploring the quantum mechanical/molecular mechanical replica path method: a pathway optimization of the chorismate to prephenate Claisen rearrangement catalyzed by chorismate mutase

21 January 2018

1 reference

Nudged elastic band method for finding minimum energy paths of transitions

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2780147

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26 December 2017

PubMed ID

17979319

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26 December 2017