BrainChildren Chemistry
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BrainChildren Chemistry
Ear, nose, and throat diseases
Tinnitus
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Ab Initio
Ab initio articles
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Ab Initio
Children
1398. Photodynamics in complex environments: ab initio multiple spawning quantum mechanical/molecular mechanical dynamics
1437. Photochemistry of visual pigment chromophore models by ab initio molecular dynamics
276. A nonadiabatic ab initio dynamics study on rhodopsin and its analog isorhodopsin: chemical dynamics reasons behind selection of rhodopsin by life
299. Ab initio multiconfigurational study of the artificial rhodopsin pigment with 11-cis-locked retinal chromophore: Towards novel fluorescent probes
359. An ab initio analysis of charge redistribution upon isomerization of retinal in rhodopsin and bacteriorhodopsin
375. Photodynamics in Complex Environments: Ab Initio Multiple Spawning Quantum Mechanical/Molecular Mechanical Dynamics
41 Ab initio molecular dynamics of visual pigment chromophore models
436. Photochemistry of Visual Pigment Chromophore Models by Ab Initio Molecular Dynamics
530. Ab Initio Modeling of the Spatial, Electronic, and Vibrational Structure of Schiff Base Models for Visual Photoreceptors
55 Ab initio, tight-binding and QM/MM calculations of the rhodopsin chromophore in its binding pocket
555. Exploring the Opsin shift with ab initio methods: Geometry and counterion effects on the electronic spectrum of retinal
606. An ab-initio molecular dynamics modeling of the primary photochemical event in vision
716. Ab initio molecular dynamics of rhodopsin
728. The C5H6NH2+ Protonated Schiff Base: An ab Initio Minimal Model for Retinal Photoisomerization
750. Ab Initio Study of 13C Shieldings for Linear π-Conjugated Systems. Theoretical Determination of the C12-C13 Conformation in the Chromophore of Rhodopsin
769. Ab Initio Study of 13C NMR Chemical Shifts for the Chromophores of Rhodopsin and Bacteriorhodopsin. Comprehensive Analysis of the 13C Chemical Shifts of Protonated all-trans-Retinylidene Schiff Base
810. Ab Initio Study of 13C NMR Chemical Shifts for the Chromophores of Rhodopsin and Bacteriorhodopsin. Theoretical Estimation of Their Ring-Chain Conformations
84 Ab initio study of the carbon-13 NMR chemical shifts for some polyene compounds as models for the chromophore of rhodopsin.
880. Conformation around the 12-s bond in an analog of retinal: an ab initio study
The journal of physical chemistry. B (2007), 111(14), 3782-8, 1437. Photochemistry of visual pigment chromophore models by ab initio molecular dynamics
The journal of physical chemistry. B (2009), 113(11), 3280-91, 1398. Photodynamics in complex environments: ab initio multiple spawning quantum mechanical/molecular mechanical dynamics