CASPT2 Study of Photodissociation Pathways of Ketene-Reference-Cited by-同舟云学术

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CASPT2 Study of Photodissociation Pathways of Ketene

Published:2013-02-20 Issue:32 Volume:117 Page:7001-7008
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Xiao Hongyan¹,Maeda Satoshi²,Morokuma Keiji¹³

Affiliation:

1. Fukui Institute for Fundamental Chemistry, Kyoto University, 34-4 Takano Nishihiraki-cho, Sakyo, Kyoto 606-8103, Japan

2. Department of Chemistry, Faculty of Science, Hokkaido University, Sapporo, 060-0810, Japan

3. Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp312719a

Reference59 articles.

1. Bond breaking without barriers: Photofragmentation of ketene at the singlet threshold

2. Photofragmentation of ketene to CH2(~X3B1) + CO. 1. Barrier height and dissociation rate constant

3. Photofragmentation of ketene to CH2(~X3B1) + CO. 2. Rotational-state distributions of product carbon monoxide

4. Determination of the singlet/triplet branching ratio in the photodissociation of ketene

5. Observation of Transition-State Vibrational Thresholds in the Rate of Dissociation of Ketene

Cited by 25 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Coherent Mixing of Singlet and Triplet States in Acrolein and Ketene: A Computational Strategy for Simulating the Electron–Nuclear Dynamics of Intersystem Crossing;The Journal of Physical Chemistry Letters;2023-06-26

2. Ethylcarbene versus Direct Propene Formation in the Near-UV Photodissociation of Ethylketene;The Journal of Physical Chemistry A;2023-01-06

3. VUV photopolymerization of ketene under interstellar conditions: from the dilute phase to the condensed phase;Monthly Notices of the Royal Astronomical Society;2022-06-06

4. Assessing the Performances of CASPT2 and NEVPT2 for Vertical Excitation Energies;Journal of Chemical Theory and Computation;2022-03-25

5. Dimethylcarbene versus Direct Propene Formation in Dimethylketene Photodissociation;The Journal of Physical Chemistry A;2021-08-09

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