Molecular Dynamics Study of Bacteriorhodopsin and the Purple Membrane
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January 2001 |
Structure and Fluctuations of Bacteriorhodopsin in the Purple Membrane: A Molecular Dynamics Study
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June 1995 |
Bacteriorhodopsin
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March 2004 |
X-ray Structure of Bacteriorhodopsin at 2.5 Angstroms from Microcrystals Grown in Lipidic Cubic Phases
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September 1997 |
Molecular Dynamics Studies of Bacteriorhodopsin's Photocycles
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January 1995 |
Tailoring Plasmonic and Electrostatic Field Effects To Maximize Solar Energy Conversion by Bacteriorhodopsin, the Other Natural Photosynthetic System
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September 2011 |
Backbone Modification of Retinal Induces Protein-like Excited State Dynamics in Solution
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May 2012 |
The C 5 H 6 NH 2 + Protonated Shiff Base: An ab Initio Minimal Model for Retinal Photoisomerization
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July 1997 |
Excited-State Properties and Environmental Effects for Protonated Schiff Bases: A Theoretical Study
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October 2006 |
Counterion Controlled Photoisomerization of Retinal Chromophore Models: a Computational Investigation
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November 2004 |
Photodynamics of All- trans Retinal Protonated Schiff Base in Bacteriorhodopsin and Methanol Solution
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August 2011 |
Conical intersections of free energy surfaces in solution: Effect of electron correlation on a protonated Schiff base in methanol solution
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August 2010 |
Solvent Effects on the Radiative and Nonradiative Decay of a Model of the Rhodopsin Chromophore
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October 2011 |
Nonadiabatic Excited-State Dynamics with Hybrid ab Initio Quantum-Mechanical/Molecular-Mechanical Methods: Solvation of the Pentadieniminium Cation in Apolar Media
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June 2010 |
Mechanism of Ultrafast Photodecay in Restricted Motions in Protonated Schiff Bases: The Pentadieniminium Cation
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July 2008 |
Photoisomerization of Model Retinal Chromophores: Insight from Quantum Monte Carlo and Multiconfigurational Perturbation Theory
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March 2010 |
Photodynamics in Complex Environments: Ab Initio Multiple Spawning Quantum Mechanical/Molecular Mechanical Dynamics †
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March 2009 |
Nonadiabatic excited-state dynamics of polar π-systems and related model compounds of biological relevance
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January 2008 |
Nature of the Surface Crossing Process in Bacteriorhodopsin: Computer Simulations of the Quantum Dynamics of the Primary Photochemical Event
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October 2001 |
Tracking the excited-state time evolution of the visual pigment with multiconfigurational quantum chemistry
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April 2007 |
Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model
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September 2012 |
Mapping the Excited State Potential Energy Surface of a Retinal Chromophore Model with Multireference and Equation-of-Motion Coupled-Cluster Methods
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September 2013 |
Isomerization Through Conical Intersections
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May 2007 |
Conical Intersections: The New Conventional Wisdom
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July 2001 |
Conical intersections as a mechanistic feature of organic photochemistry
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January 1995 |
Potential-energy surfaces for ultrafast photochemistry Static and dynamic aspects
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January 1998 |
The multi-state CASPT2 method
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May 1998 |
Dynamic electron correlation effect on conical intersections in photochemical ring-opening reaction of cyclohexadiene: MS-CASPT2 study
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July 2009 |
Role of Rydberg States in the Photochemical Dynamics of Ethylene
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December 2011 |
Analytical energy gradients for internally contracted second-order multireference perturbation theory
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September 2003 |
Conical intersections and double excitations in time-dependent density functional theory
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March 2006 |
Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection
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June 2014 |
Mixed time-dependent density-functional theory/classical trajectory surface hopping study of oxirane photochemistry
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September 2008 |
Theoretical Studies of Electronically Excited States of Molecular Systems Using Multiconfigurational Perturbation Theory
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February 1999 |
A second order multiconfiguration SCF procedure with optimum convergence
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June 1985 |
An efficient second-order MC SCF method for long configuration expansions
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April 1985 |
Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
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March 1972 |
Self‐consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets
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April 1984 |
A scheme to interpolate potential energy surfaces and derivative coupling vectors without performing a global diabatization
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December 2011 |
Ab Initio Multiple Spawning Dynamics of Excited Butadiene: Role of Charge Transfer
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November 2009 |
Exploring the Conical Intersection Seam: The Seam Space Nudged Elastic Band Method
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December 2012 |
Potential energy surfaces near intersections
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August 1991 |
The role of intersection topography in bond selectivity of cis-trans photoisomerization
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February 2002 |
Nuclear dynamics near conical intersections in the adiabatic representation: I. The effects of local topography on interstate transitions
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February 2001 |
Nonlinear dimensionality reduction for nonadiabatic dynamics: The influence of conical intersection topography on population transfer rates
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December 2012 |
Photoisomerization for a model protonated Schiff base in solution: Sloped/peaked conical intersection perspective
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December 2012 |
Nonadiabatic molecular dynamics: Validation of the multiple spawning method for a multidimensional problem
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May 1998 |
Ab Initio Multiple Spawning: Photochemistry from First Principles Quantum Molecular Dynamics
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June 2000 |
Implementation of ab initio multiple spawning in the Molpro quantum chemistry package
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May 2008 |
Classical/quantal method for multistate dynamics: A computational study
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February 1996 |
Frozen Gaussians: A very simple semiclassical approximation
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September 1981 |
Bicycle-pedal model for the first step in the vision process
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April 1976 |
Theoretical study on hula-twist motion of penta-2,4-dieniminium on the S1 surface under isolated condition by the complete active space self-consistent field theory
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June 2006 |
Photoisomerization by Hula-twist. Photoactive biopigments
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January 2002 |
Computational evidence in favor of a two-state, two-mode model of the retinal chromophore photoisomerization
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August 2000 |
Communication: Extended multi-state complete active space second-order perturbation theory: Energy and nuclear gradients
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August 2011 |
Extended multi-configuration quasi-degenerate perturbation theory: The new approach to multi-state multi-reference perturbation theory
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June 2011 |