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。Photoinduced Ultrafast Wolff Rearrangement: A Non-Adiabatic Dynamics Perspective
Ganglong Cui et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)
Cooperating Dinitrogen and Phenyl Rotations in trans-Azobenzene Photoisomerization
Jose A. Gamez et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Monomeric adenine decay dynamics influenced by the DNA environment
You Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
Nonadiabatic Decay Dynamics of a Benzylidene Malononitrile
Zhenggang Lan et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Intramolecular Hydrogen Bonding Plays a Crucial Role in the Photophysics and Photochemistry of the GFP Chromophore
Ganglong Cui et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Nonadiabatic dynamics of a truncated indigo model
Ganglong Cui et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Sampling excited state dynamics: influence of HOOP mode excitations in a retinal model
Nicole Klaffki et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Sequential photoisomerisation dynamics of the push-pull azobenzene Disperse Red 1
Julia Bahrenburg et al.
PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES (2012)
Hydrogen Bonding Regulates the Monomeric Nonradiative Decay of Adenine in DNA Strands
You Lu et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
QM/MM Nonadiabatic Decay Dynamics of 9H-Adenine in Aqueous Solution
Zhenggang Lan et al.
CHEMPHYSCHEM (2011)
Surface Hopping Excited-State Dynamics Study of the Photoisomerization of a Light-Driven Fluorene Molecular Rotary Motor
Andranik Kazaryan et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Nonadiabatic Molecular Dynamics Study of the cis-trans Photoisomerization of Azobenzene Excited to the S1 State
Marek Pederzoli et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Color Tuning in Binding Pocket Models of the Chlamydomonas-Type Channelrhodopsins
Kai Welke et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Chiral Pathways and Periodic Decay in cis-Azobenzene Photodynamics
Oliver Weingart et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2011)
Multiscale modelling of mesoscopic phenomena triggered by quantum events: light-driven azo-materials and beyond
Marcus Boeckmann et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Photoswitchable Supramolecular Hydrogels Formed by Cyclodextrins and Azobenzene Polymers
Shingo Tamesue et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)
Benchmark of Electronically Excited States for Semiempirical Methods: MNDO, AM1, PM3, OM1, OM2, OM3, INDO/S, and INDO/S2
Mario R. Silva-Junior et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
Nonadiabatic Hybrid Quantum and Molecular Mechanic Simulations of Azobenzene Photoswitching in Bulk Liquid Environment
Marcus Boeckmann et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Coherent ultrafast torsional motion and isomerization of a biomimetic dipolar photoswitch
Julien Briand et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Photoinduced Nonadiabatic Dynamics of 9H-Guanine
Zhenggang Lan et al.
CHEMPHYSCHEM (2009)
Cis-trans isomerization mechanism of 4-aminoazobenzene in the S0 and S1 states: A CASSCF and DFT study
Luoxin Wang et al.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY (2009)
Photoinduced Nonadiabatic Dynamics of Pyrimidine Nucleobases: On-the-Fly Surface-Hopping Study with Semiempirical Methods
Zhenggang Lan et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
Implementation of surface hopping molecular dynamics using semiempirical methods
E. Fabiano et al.
CHEMICAL PHYSICS (2008)
Approximate switching algorithms for trajectory surface hopping
E. Fabiano et al.
CHEMICAL PHYSICS (2008)
Synthesis, spectral properties and application of novel monoazo disperse dyes derived from N-ester-1,8-naphthalimide to polyester
Kamaladin Gharanjig et al.
DYES AND PIGMENTS (2008)
Nonradiative deexcitation dynamics of 9H-adenine: An OM2 surface hopping study
E. Fabiano et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
The different photoisomerization efficiency of azobenzene in the lowest nπ* and,ππ* singlets:: The role of a phantom state
Irene Conti et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Azobenzene photoswitches in bulk materials
Marcus Boeckmann et al.
PHYSICAL REVIEW E (2008)
Ab initio study of photoisomerization mechanisms of push-pull p,p′-disubstituted azobenzene derivatives on S1 excited state
Luoxin Wang et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2007)
Comparison of algorithms for conical intersection optimisation using semiempirical methods
Thomas W. Keal et al.
THEORETICAL CHEMISTRY ACCOUNTS (2007)
Looking at self-consistent-charge density functional tight binding from a semiempirical perspective
Nikolaj Otte et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Excited state dynamics with the direct trajectory surface hopping method: azobenzene and its derivatives as a case study
Giovanni Granucci et al.
THEORETICAL CHEMISTRY ACCOUNTS (2007)
Critical appraisal of the fewest switches algorithm for surface hopping
Giovanni Granucci et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
An ab initio study of stable conformation and thermal isomerization of p-aminoazobenzene
Luoxin Wang et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2007)
Color tuning in rhodopsins:: The mechanism for the spectral shift between bacteriorhodopsin and sensory rhodopsin II
Michael Hoffmann et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Simulation of the photodynamics of azobenzene on its first excited state:: Comparison of full multiple spawning and surface hopping treatments -: art. no. 234308
A Toniolo et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Are azobenzenophanes rotation-restricted?
C Ciminelli et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Photoinduced reversible change of fluid viscosity
H Sakai et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Hierarchical organization of photoresponsive hydrogen-bonded rosettes
S Yagai et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Photoisomerization of azobenzene from first-principles constrained density-functional calculations
ML Tiago et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Femtosecond fluorescence up-conversion spectroscopy of a rotation-restricted azobenzene after excitation to the S-1 state
T Pancur et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
On the mechanism of the cis-trans isomerization in the lowest electronic states of azobenzene:: S0, S1, and T1
A Cembran et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
A new trans-to-cis photoisomerization mechanism of azobenzene on the S1(n,π*) surface
EWG Diau
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Sub-picosecond time-resolved absorption spectroscopy of a push-pull type p,p'-substituted trans-azobenzene
M Hagiri et al.
CHEMICAL PHYSICS LETTERS (2004)
The photoisomerization mechanism of azobenzene: A semiclassical simulation of nonadiabatic dynamics
C Ciminelli et al.
CHEMISTRY-A EUROPEAN JOURNAL (2004)
Implementation of a general multireference configuration interaction procedure with analytic gradients in a semiempirical context using the graphical unitary group approach
A Koslowski et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)
Single molecule force spectroscopy of azobenzene polymers: Switching elasticity of single photochromic macromolecules
NB Holland et al.
MACROMOLECULES (2003)
Single-molecule optomechanical cycle
T Hugel et al.
SCIENCE (2002)
Effect of potential energy gap between the n-π* and the π-π* state on ultrafast photoisomerization dynamics of an azobenzene derivative
Y Hirose et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Theoretical study on the photoisomerization of azobenzene
T Ishikawa et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Artificial molecular-level machines. Dethreading-rethreading of a pseudorotaxane powered exclusively by light energy
V Balzani et al.
CHEMICAL COMMUNICATIONS (2001)
Third-order nonlinear optical response of a new linear polymer with 4-aminoazobenzene
AS Kutsenko et al.
JOURNAL OF NONLINEAR OPTICAL PHYSICS & MATERIALS (2001)
Ab initio calculation of the electronic spectrum of azobenzene dyes and its impact on the design of optical data storage materials
PO Åstrand et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)
Orthogonalization corrections for semiempirical methods
W Weber et al.
THEORETICAL CHEMISTRY ACCOUNTS (2000)
分享论文
