Publications by authors named "David Clary"

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The reaction step: general discussion.
Michael P Burke, Piergiorgio Casavecchia, Carlo Cavallotti, David C Clary, Anna Doner

Faraday Discuss· October 2022

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Publisher Correction: Extensive identification of genes involved in congenital and structural heart disorders and cardiomyopathy.
Nadine Spielmann, Gregor Miller, Tudor I Oprea, Chih-Wei Hsu, Gisela Fobo, David Clary

Nat Cardiovasc Res· May 2022

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Computational analyses of the vibrational spectra of fentanyl, carfentanil and remifentanil.
Xiao Shan, Linda Lee, Rhea J Clewes, Christopher R Howle, Mark R Sambrook, David C Clary

Spectrochim Acta A Mol Biomol Spectrosc· April 2022

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Extensive identification of genes involved in congenital and structural heart disorders and cardiomyopathy.
Nadine Spielmann, Gregor Miller, Tudor I Oprea, Chih-Wei Hsu, Gisela Fobo, David Clary

Nat Cardiovasc Res· February 2022

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Analytic Route to Tunneling Splittings Using Semiclassical Perturbation Theory.
Timothy A H Burd, David C Clary

J Chem Theory Comput· June 2020

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Soft windowing application to improve analysis of high-throughput phenotyping data.
Hamed Haselimashhadi, Jeremy C Mason, Violeta Munoz-Fuentes, Federico López-Gómez, Kolawole Babalola, David Clary

Bioinformatics· March 2020

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Calculations on the unimolecular decomposition of the nerve agent VX.
Xiao Shan, Mark R Sambrook, David C Clary

Phys Chem Chem Phys· January 2020

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Hydrogen tunnelling in the rearrangements of carbenes: the role of dynamical calculations.
Timothy A H Burd, Xiao Shan, David C Clary

Phys Chem Chem Phys· January 2020

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New Developments in Semiclassical Transition-State Theory.
Xiao Shan, Timothy A H Burd, David C Clary

J Phys Chem A· June 2019

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Erratum: Author Correction: Identification of genes required for eye development by high-throughput screening of mouse knockouts.
Bret A Moore, Brian C Leonard, Lionel Sebbag, Sydney G Edwards, Ann Cooper, David Clary

Commun Biol· March 2019

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Theoretical Study of Gas-Phase Unimolecular Decomposition of Simulants of the Nerve Agent VX.
Xiao Shan, Mark R Sambrook, David C Clary

J Phys Chem A· January 2019

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Spiers Memorial Lecture. Introductory lecture: quantum dynamics of chemical reactions.
David C Clary

Faraday Discuss· December 2018

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Quantum dynamics of isolated molecules: general discussion.
Dmitri Babikov, David Benoit, Joel Bowman, Timothy Burd, David Clary

Faraday Discuss· December 2018

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Precise characterisation of isolated molecules: general discussion.
Zlatko Bacic, David Benoit, Matthieu Besemer, Joel Bowman, Stephen Bradforth, David Clary

Faraday Discuss· December 2018

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Molecules in confinement in clusters, quantum solvents and matrices: general discussion.
Zlatko Bacic, David Benoit, Malgorzata Biczysko, Joel Bowman, Stephen Bradforth, David Clary

Faraday Discuss· December 2018

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Identification of genes required for eye development by high-throughput screening of mouse knockouts.
Bret A Moore, Brian C Leonard, Lionel Sebbag, Sydney G Edwards, Ann Cooper, David Clary

Commun Biol· December 2018

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Catalysis and tunnelling in the unimolecular decay of Criegee intermediates.
Timothy A H Burd, Xiao Shan, David C Clary

Phys Chem Chem Phys· October 2018

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Application of one-dimensional semiclassical transition state theory to the CHOH + H ⇌ CHOH/CHO + H reactions.
Xiao Shan, David C Clary

Philos Trans A Math Phys Eng Sci· March 2018

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Modern theoretical chemistry: the legacy of Prof. John N. Murrell.
Anthony J Stace, David C Clary

Philos Trans A Math Phys Eng Sci· March 2018

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Recent advances in quantum scattering calculations on polyatomic bimolecular reactions.
Bina Fu, Xiao Shan, Dong H Zhang, David C Clary

Chem Soc Rev· December 2017

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Chemical reaction dynamics.
Xueming Yang, David C Clary, Daniel M Neumark

Chem Soc Rev· December 2017

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A Combined Theoretical and Experimental Study of Sarin (GB) Decomposition at High Temperatures.
Xiao Shan, Jack C Vincent, Sue Kirkpatrick, Maurice D Walker, Mark R Sambrook, David C Clary

J Phys Chem A· August 2017

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Fundamentals: general discussion.
Stuart C Althorpe, Vijay Beniwal, Peter G Bolhuis, João Brandão, David C Clary

Faraday Discuss· December 2016

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Rate constants of chemical reactions from semiclassical transition state theory in full and one dimension.
Samuel M Greene, Xiao Shan, David C Clary

J Chem Phys· June 2016

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CHEMISTRY. Quantum dynamics in the smallest water droplet.
David C Clary

Science· March 2016

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