A new approach to molecular dynamics with non-adiabatic and spin-orbit effects with applications to QM/MM simulations of thiophene and selenophene-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

A new approach to molecular dynamics with non-adiabatic and spin-orbit effects with applications to QM/MM simulations of thiophene and selenophene

Published:2017-03-21 Issue:11 Volume:146 Page:114101
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Pederzoli Marek¹²,Pittner Jiří¹

Affiliation:

1. J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i., Dolejškova 3, 18223 Prague 8, Czech Republic

2. Faculty of Science, Department of Physical and Macromolecular Chemistry, Charles University in Prague, Hlavova 8, 12840 Prague 2, Czech Republic

Funder

Přírodovědecká Fakulta, Univerzita Karlova (Faculty of Science, Charles University)

Grantová Agentura České Republiky (GACR)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4978289

Reference57 articles.

1. Modern Methods for Multidimensional Dynamics Computations in Chemistry

2. Nonadiabatic dynamics with trajectory surface hopping method

3. Three-State Trajectory Surface Hopping Studies of the Photodissociation Dynamics of Formaldehyde on ab Initio Potential Energy Surfaces

4. Nonadiabatic quantum dynamics in O(3P)+H2→OH+H: A revisited study

Cited by 24 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. The role of intersystem crossing in the reactive collision of S+(4S) with H2;The Journal of Chemical Physics;2024-07-22

2. Implementation of Nonadiabatic Molecular Dynamics for Intersystem Crossing Based on a Time-Dependent Density-Functional Tight-Binding Method;The Journal of Physical Chemistry A;2024-07-11

3. A CASSCF/MRCI trajectory surface hopping simulation of the photochemical dynamics and the gas phase ultrafast electron diffraction patterns of cyclobutanone;The Journal of Chemical Physics;2024-03-25

4. Exploring the ultrafast and isomer-dependent photodissociation of iodothiophenes via site-selective ionization;Physical Chemistry Chemical Physics;2024

5. Spin-Vibronic Dynamics in Open-Shell Systems beyond the Spin Hamiltonian Formalism;Journal of Chemical Theory and Computation;2023-12-28

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号京ICP备18003416号-3