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ABOUT JoVE

Overview Leadership Blog JoVE Help Center

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Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

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JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

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Andrew T B Gilbert

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Journal of Chemical Theory and Computation|January 24, 2020

Q-MP2-OS: Møller-Plesset Correlation Energy by QuadratureGiuseppe M J Barca, Simon C McKenzie, Nathaniel J Bloomfield, et al.

Journal of Computational Chemistry|March 6, 2007

Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculationsH Lee Woodcock, Milan Hodošček, Andrew T B Gilbert, et al.

Physical Chemistry Chemical Physics : PCCP|February 12, 2009

The role of exchange in systematic DFT errors for some organic reactionsDavid R B Brittain, Ching Yeh Lin, Andrew T B Gilbert, et al.

Journal of Computational Chemistry|January 16, 2013

Effective fragment potential method in Q-CHEM: a guide for users and developersDebashree Ghosh, Dmytro Kosenkov, Vitalii Vanovschi, et al.

Physical Chemistry Chemical Physics : PCCP|August 12, 2006

Advances in methods and algorithms in a modern quantum chemistry program packageYihan Shao, Laszlo Fusti Molnar, Yousung Jung, et al.

The Journal of Chemical Physics|September 2, 2021

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 packageEvgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.

Pageof 3

Search research articles

Showing results (21-30 of 26) with videos related to

Sort By:

Pageof 3

You have reached the last page of results.This site can display upto 26 results.

Journal of Chemical Theory and Computation|January 24, 2020

Q-MP2-OS: Møller-Plesset Correlation Energy by QuadratureGiuseppe M J Barca, Simon C McKenzie, Nathaniel J Bloomfield, et al.

Journal of Computational Chemistry|March 6, 2007

Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculationsH Lee Woodcock, Milan Hodošček, Andrew T B Gilbert, et al.

Physical Chemistry Chemical Physics : PCCP|February 12, 2009

The role of exchange in systematic DFT errors for some organic reactionsDavid R B Brittain, Ching Yeh Lin, Andrew T B Gilbert, et al.

Journal of Computational Chemistry|January 16, 2013

Effective fragment potential method in Q-CHEM: a guide for users and developersDebashree Ghosh, Dmytro Kosenkov, Vitalii Vanovschi, et al.

Physical Chemistry Chemical Physics : PCCP|August 12, 2006

Advances in methods and algorithms in a modern quantum chemistry program packageYihan Shao, Laszlo Fusti Molnar, Yousung Jung, et al.

The Journal of Chemical Physics|September 2, 2021

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 packageEvgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.

Pageof 3