Exploring the Photophysical Properties of Molecular Systems Using Excited State Accelerated ab Initio Molecular Dynamics

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Exploring the Photophysical Properties of Molecular Systems Using Excited State Accelerated ab Initio Molecular Dynamics

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2012 nî lūn-bûn

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2012年の論文

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2012年学术文章

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2012年学术文章

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2012年学术文章

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2012年学术文章

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2012年学术文章

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2012年學術文章

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2012年學術文章

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Exploring the Photophysical Pr ...... d ab Initio Molecular Dynamics

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Exploring the Photophysical Pr ...... d ab Initio Molecular Dynamics

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Exploring the Photophysical Pr ...... d ab Initio Molecular Dynamics

@ast

Exploring the Photophysical Pr ...... d ab Initio Molecular Dynamics

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Exploring the Photophysical Pr ...... d ab Initio Molecular Dynamics

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Exploring the Photophysical Pr ...... d ab Initio Molecular Dynamics

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P1476

Exploring the Photophysical Pr ...... d ab Initio Molecular Dynamics

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P2093

Denis Bucher

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Juan Manuel Ortiz-Sánchez

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Levi C T Pierce

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Phineus R L Markwick

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P2860

Unified Approach for Molecular Dynamics and Density-Functional Theory

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Density-functional exchange-energy approximation with correct asymptotic behavior

Investigating mitochondrial redox potential with redox-sensitive green fluorescent protein indicators

Anabaena sensory rhodopsin is a light-driven unidirectional rotor.

On the Use of Accelerated Molecular Dynamics to Enhance Configurational Sampling in Ab Initio Simulations.

Accelerating chemical reactions: exploring reactive free-energy surfaces using accelerated ab initio molecular dynamics

QM/MM Car-Parrinello molecular dynamics study of the solvent effects on the ground state and on the first excited singlet state of acetone in water.

Conical intersection dynamics of the primary photoisomerization event in vision.

Imaging dynamic redox changes in mammalian cells with green fluorescent protein indicators.

P304

2752-2761

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P31

scholarly article

P356

10.1021/CT200740R

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P433

http://www.w3.org/2001/XMLSchema#string

P478

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P50

J. Andrew McCammon

P577

2012-06-28T00:00:00Z

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P5875

230700492

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P698

22904696

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P932

3419466

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