Trajectory on‐the‐fly molecular dynamics approach to tunneling splitting in the electronic excited state: A case of tropolone-Reference-Cited by-同舟云学术

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Trajectory on‐the‐fly molecular dynamics approach to tunneling splitting in the electronic excited state: A case of tropolone

Published:2020-04-02 Issue:16 Volume:41 Page:1549-1556
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Ootani Yusuke¹,Satoh Aya²,Harabuchi Yu²,Taketsugu Tetsuya²³^ORCID

Affiliation:

1. Institute for Materials Research Tohoku University Sendai Japan

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

3. Institute for Chemical Reaction Design and Discovery (WPI‐ICReDD) Hokkaido University Sapporo Japan

Funder

Core Research for Evolutional Science and Technology

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26199

Reference32 articles.

1. Mapping GFP structure evolution during proton transfer with femtosecond Raman spectroscopy

2. Ab initio classical trajectory study of H2CO→H2+CO dissociation

3. Dynamic Reaction Coordinate Analysis: An Application to SiH4 + H- .fwdarw. SiH5-

4. Interfacing Electronic Structure Theory with Dynamics

5. Molecular dynamics with electronic transitions

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1. Fourier transform-based electronic logic information processing architecture design;Applied Mathematics and Nonlinear Sciences;2023-06-13

2. Trajectory On‐the‐Fly Molecular Dynamics Approach to Tunneling Splitting in the Electronic Ground and Excited States;Spectroscopy and Computation of Hydrogen‐Bonded Systems;2022-12-06

3. Application of Internet of Things Based on Wireless Sensor in Tunnel Construction Monitoring;Journal of Sensors;2022-06-28

4. Ultrafast nonadiabatic excited-state intramolecular proton transfer in 3-hydroxychromone: A surface hopping approach;The Journal of Chemical Physics;2021-09-07

5. Theoretical Study of Proton Tunneling in the Imidazole–Imidazolium Complex;The Journal of Physical Chemistry A;2021-08-05

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