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Lista de obras de Oliver Weingart

Bond torsion affects the product distribution in the photoreaction of retinal model chromophores

artículo científico publicado en 2005

COBRAMM 2.0 — A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations

artículo científico publicado en 2018

Chiral Pathways and Periodic Decay in cis-Azobenzene Photodynamics

article published in 2011

Combined Quantum and Molecular Mechanics (QM/MM) Approaches to Simulate Ultrafast Photodynamics in Biological Systems

Conical intersection dynamics of the primary photoisomerization event in vision

artículo científico publicado en 2010

Cooperating Dinitrogen and Phenyl Rotations in trans-Azobenzene Photoisomerization

artículo científico publicado en 2012

Coordinatively unsaturated metal sites (open metal sites) in metal-organic frameworks: design and applications

scientific article published on 01 April 2020

Cyclic diphenic hydrazide: crystal structure, resolution, absolute configuration, and enantiomerization pathway investigation

Density-functional theory study of vibrational relaxation of CO stretching excitation on Si(100)

article

Dual Photochemical Reaction Pathway in Flavin-Based Photoreceptor LOV Domain: A Combined Quantum-Mechanics/Molecular-Mechanics Investigation

artículo científico publicado en 2017

Electron promotion and electronic friction in atomic collision cascades

Excited State Isomerization of Small Polyeneiminium Ions - The Influence of Initial Torsion and Methyl Substitution on Md-Calculated Reaction Dynamics

article

Excited state molecular dynamics of retinal model chromophores

article

Femtosecond Spectroscopy of Calcium Dipicolinate-A Major Component of Bacterial Spores

artículo científico publicado en 2016

Fluorinated azobenzenes as supramolecular halogen-bonding building blocks

scientific article published on 23 August 2019

Ground and excited states of retinal schiff base chromophores by multiconfigurational perturbation theory

artículo científico publicado en 2006

Impact of fluorination on the photophysics of the flavin chromophore: a quantum chemical perspective

scientific article published on 01 May 2019

Interfacial States in Donor-Acceptor Organic Heterojunctions: Computational Insights into Thiophene-Oligomer/Fullerene Junctions

artículo científico publicado en 2012

Introduction-Festschrift in Honor of Prof. Volker Buß.

artículo científico publicado en 2017

Metal-Organic Frameworks with Potential Application for SO2 Separation and Flue Gas Desulfurization

scientific article published on 02 May 2019

Modeling hot-electron generation induced by electron promotion in atomic collision cascades in metals

scholarly article in Physical Review B, vol. 77 no. 24, June 2008

Modelling time-resolved two-dimensional electronic spectroscopy of the primary photoisomerization event in rhodopsin

artículo científico publicado en 2014

Modelling vibrational coherence in the primary rhodopsin photoproduct.

artículo científico publicado en 2012

Molcas8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

artículo científico publicado en 2015

New Perspectives on an Old Issue: A Comparative MS-CASPT2 and OM2-MRCI Study of Polyenes and Protonated Schiff Bases

artículo científico publicado en 2017

Nonadiabatic Decay Dynamics of a Benzylidene Malononitrile

article

On the large apparent Stokes shift of phthalimides

artículo científico publicado en 2019

On the role of electronic friction and electron promotion in kinetic excitation of solids

Periodic decay in the photoisomerisation of p-aminoazobenzene

artículo científico publicado en 2013

Photochemistry of Visual Pigment Chromophore Models by Ab Initio Molecular Dynamics

artículo científico publicado en 2007

Probing the Photochemical Funnel of a Retinal Chromophore Model via Zero-Point Energy Sampling Semiclassical Dynamics

Product formation in rhodopsin by fast hydrogen motions

artículo científico publicado en 2011

Relationship between Excited State Lifetime and Isomerization Quantum Yield in Animal Rhodopsins: Beyond the One-Dimensional Landau-Zener Model

scientific article published on 06 June 2018

Sampling excited state dynamics: influence of HOOP mode excitations in a retinal model

artículo científico publicado en 2012

Spectral properties and isomerisation path of retinal in C1C2 channelrhodopsin

artículo científico publicado en 2015

Substrate-induced symmetry reduction of CuPc on Cu(111): An LT-STM study

The effect of solvent relaxation in the ultrafast time-resolved spectroscopy of solvated benzophenone.

artículo científico publicado en 2018

The photoformation of a phthalide: a ketene intermediate traced by FSRS

The role of HOOP-modes in the ultrafast photo-isomerization of retinal models

The role of electronic friction of low-energy recoils in atomic collision cascades

The twisted C11=C12 bond of the rhodopsin chromophore--a photochemical hot spot

artículo científico publicado en 2007

Tracking the primary photoconversion events in rhodopsins by ultrafast optical spectroscopy

artículo científico

Wavepacket Splitting and Two-Pathway Deactivation in the Photoexcited Visual Pigment Isorhodopsin

artículo científico publicado en 2014

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