4.8 Article

Nonadiabatic Molecular Dynamics Study of the Relaxation Pathways of Photoexcited Cyclooctatetraene

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Multidisciplinary

The Future of Molecular Machines

Ivan Aprahamian

ACS CENTRAL SCIENCE (2020)

Article Chemistry, Physical

NEXMD Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations

Walter Malone et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)

Article Chemistry, Physical

First Principles Nonadiabatic Excited-State Molecular Dynamics in NWChem

Huajing Song et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)

Article Chemistry, Physical

Photoexcitation dynamics in perylene diimide dimers

Aliya Mukazhanova et al.

JOURNAL OF CHEMICAL PHYSICS (2020)

Article Chemistry, Physical

Quadratic Response Properties from TDDFT: Trials and Tribulations

Shane M. Parker et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)

Article Chemistry, Physical

Photoinduced Intra- and Intermolecular Energy Transfer in Chlorophyll a Dimer

Fulu Zheng et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2017)

Article Multidisciplinary Sciences

Energetics and dynamics of a light-driven sodium-pumping rhodopsin

Carl-Mikael Suomivuori et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2017)

Article Biochemistry & Molecular Biology

New Insights into the State Trapping of UV-Excited Thymine

Ljiljana Stojanovic et al.

MOLECULES (2016)

Review Chemistry, Multidisciplinary

Nonadiabatic Excited-State Molecular Dynamics: Modeling Photophysics in Organic Conjugated Materials

Tammie Nelson et al.

ACCOUNTS OF CHEMICAL RESEARCH (2014)

Article Chemistry, Physical

Nonadiabatic Ensemble Simulations of cis-Stilbene and cis-Azobenzene Photoisomerization

Amanda J. Neukirch et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)

Article Chemistry, Physical

Nonadiabatic excited-state molecular dynamics: Treatment of electronic decoherence

Tammie Nelson et al.

JOURNAL OF CHEMICAL PHYSICS (2013)

Article Chemistry, Physical

Ab initio non-adiabatic molecular dynamics

Enrico Tapavicza et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)

Article Chemistry, Physical

Nonadiabatic Excited-State Molecular Dynamics Modeling of Photoinduced Dynamics in Conjugated Molecules

Tammie Nelson et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2011)

Review Multidisciplinary Sciences

Recent Studies on the Aromaticity and Antiaromaticity of Planar Cyclooctatetraene

Tohru Nishinaga et al.

SYMMETRY-BASEL (2010)

Article Multidisciplinary Sciences

Structures of Annulenes and Model Annulene Systems in the Ground and Lowest Excited States

Cristina Gellini et al.

SYMMETRY-BASEL (2010)

Article Chemistry, Physical

Implementation of surface hopping molecular dynamics using semiempirical methods

E. Fabiano et al.

CHEMICAL PHYSICS (2008)

Article Biochemistry & Molecular Biology

Optimization of parameters for semiempirical methods IV: extension of MNDO, AM1, and PM3 to more main group elements

JJP Stewart

JOURNAL OF MOLECULAR MODELING (2004)

Article Chemistry, Multidisciplinary

Cyclooctatetraene computational photo- and thermal chemistry:: A reactivity model for conjugated hydrocarbons

M Garavelli et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)

Review Biochemistry & Molecular Biology

Photoisomerization in rhodopsin

H Kandori et al.

BIOCHEMISTRY-MOSCOW (2001)