Literature DB >> 29431685

Modern theoretical chemistry: the legacy of Prof. John N. Murrell.

Anthony J Stace1, David C Clary2.   

Abstract

Year:  2018        PMID： 29431685      PMCID： PMC5805920          DOI： 10.1098/rsta.2017.0460

Source DB:  PubMed          Journal:  Philos Trans A Math Phys Eng Sci        ISSN： 1364-503X            Impact factor:   4.226


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  13 in total

1.  Accessing the molecular frame through strong-field alignment of distributions of gas phase molecules.

Authors:  Katharine L Reid
Journal:  Philos Trans A Math Phys Eng Sci       Date:  2018-03-13       Impact factor: 4.226

2.  Cn (n=2-4): current status.

Authors:  A J C Varandas; C M R Rocha
Journal:  Philos Trans A Math Phys Eng Sci       Date:  2018-03-13       Impact factor: 4.226

3.  Quantum chemical study of the structure, spectroscopy and reactivity of NO+.(H2O) n=1-5 clusters.

Authors:  Kirsty A Linton; Timothy G Wright; Nicholas A Besley
Journal:  Philos Trans A Math Phys Eng Sci       Date:  2018-03-13       Impact factor: 4.226

4.  Dynamic simulations of many-body electrostatic self-assembly.

Authors:  Eric B Lindgren; Benjamin Stamm; Yvon Maday; Elena Besley; A J Stace
Journal:  Philos Trans A Math Phys Eng Sci       Date:  2018-03-13       Impact factor: 4.226

5.  Probing the rate-determining region of the potential energy surface for a prototypical ion-molecule reaction.

Authors:  Changjian Xie; Xinguo Liu; Brendan C Sweeny; Thomas M Miller; Shaun G Ard; Nicholas S Shuman; Albert A Viggiano; Hua Guo
Journal:  Philos Trans A Math Phys Eng Sci       Date:  2018-03-13       Impact factor: 4.226

6.  Kinetics and dynamics of near-resonant vibrational energy transfer in gas ensembles of atmospheric interest.

Authors:  Anthony J McCaffery
Journal:  Philos Trans A Math Phys Eng Sci       Date:  2018-03-13       Impact factor: 4.226

7.  High-accuracy water potential energy surface for the calculation of infrared spectra.

Authors:  Irina I Mizus; Aleksandra A Kyuberis; Nikolai F Zobov; Vladimir Yu Makhnev; Oleg L Polyansky; Jonathan Tennyson
Journal:  Philos Trans A Math Phys Eng Sci       Date:  2018-03-13       Impact factor: 4.226

8.  Interactions of C+(2PJ ) with rare gas atoms: incipient chemical interactions, potentials and transport coefficients.

Authors:  William D Tuttle; Rebecca L Thorington; Larry A Viehland; W H Breckenridge; Timothy G Wright
Journal:  Philos Trans A Math Phys Eng Sci       Date:  2018-03-13       Impact factor: 4.226

9.  Application of one-dimensional semiclassical transition state theory to the CH3OH + H ⇌ CH2OH/CH3O + H2 reactions.

Authors:  Xiao Shan; David C Clary
Journal:  Philos Trans A Math Phys Eng Sci       Date:  2018-03-13       Impact factor: 4.226

10.  Isomers and energy landscapes of micro-hydrated sulfite and chlorate clusters.

Authors:  John C Hey; Emily J Doyle; Yuting Chen; Roy L Johnston
Journal:  Philos Trans A Math Phys Eng Sci       Date:  2018-03-13       Impact factor: 4.226
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