(Q43237855)

17 November 2017

title

Ab initio molecular dynamics simulation of photoisomerization in azobenzene in the n pi* state (English)

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17 November 2017

Yusuke Ootani

1

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17 November 2017

Kiminori Satoh

2

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17 November 2017

Akira Nakayama

3

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17 November 2017

Takeshi Noro

4

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17 November 2017

Tetsuya Taketsugu

5

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17 November 2017

language of work or name

English

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publication date

1 November 2009

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Journal of Chemical Physics

17 November 2017

published in

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17 November 2017

volume

131

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17 November 2017

issue

19

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17 November 2017

page(s)

194306

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Ab initio QM/MM molecular dynamics study on the excited-state hydrogen transfer of 7-azaindole in water solution

17 November 2017

cites work

1 reference

Photoisomerization dynamics of azobenzene in solution with S1 excitation: a femtosecond fluorescence anisotropy study

21 January 2018

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On the mechanism of the cis-trans isomerization in the lowest electronic states of azobenzene: S0, S1, and T1.

21 January 2018

1 reference

A New Trans-to-Cis Photoisomerization Mechanism of Azobenzene on the S1(n,π*) Surface

21 January 2018

1 reference

Photoisomerization of azobenzene from first-principles constrained density-functional calculations.

21 January 2018

1 reference

The different photoisomerization efficiency of azobenzene in the lowest n pi* and pi pi* singlets: the role of a phantom state

21 January 2018

1 reference

The photoisomerization mechanism of azobenzene: a semiclassical simulation of nonadiabatic dynamics

21 January 2018

1 reference

Simulation of the photodynamics of azobenzene on its first excited state: comparison of full multiple spawning and surface hopping treatments

21 January 2018

1 reference

Are azobenzenophanes rotation-restricted?

21 January 2018

1 reference

Nonadiabatic simulation study of photoisomerization of azobenzene: detailed mechanism and load-resisting capacity

21 January 2018

1 reference

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

1 reference

Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations

21 January 2018

1 reference

A Refinement of the Crystal Structure of cis-Azobenzene

21 January 2018

1 reference

Ab Initio Multiple Spawning: Photochemistry from First Principles Quantum Molecular Dynamics

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3263918

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17 November 2017

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