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List of works by Oliver Weingart

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

scientific article

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

scientific article published on 03 September 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

scientific article published on September 2010

Cooperating Dinitrogen and Phenyl Rotations in trans-Azobenzene Photoisomerization

scientific article published on 04 June 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

scientific article published on 19 September 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

scientific article published on 29 August 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

scientific article published on 28 April 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

scientific article published on 4 December 2012

Introduction-Festschrift in Honor of Prof. Volker Buß.

scientific article published on 25 October 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

scientific article

Modelling vibrational coherence in the primary rhodopsin photoproduct.

scientific article published in December 2012

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

scientific article (publication date: 12 November 2015)

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

scientific article

Nonadiabatic Decay Dynamics of a Benzylidene Malononitrile

article

On the large apparent Stokes shift of phthalimides

scientific article published on 01 February 2019

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

Periodic decay in the photoisomerisation of p-aminoazobenzene

scientific article

Photochemistry of Visual Pigment Chromophore Models by Ab Initio Molecular Dynamics

scientific article published on 23 March 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

scientific article published on 18 January 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

scientific article published in November 2012

Spectral properties and isomerisation path of retinal in C1C2 channelrhodopsin

scientific article published on 9 September 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.

scientific article published on 31 January 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

scientific article

Tracking the primary photoconversion events in rhodopsins by ultrafast optical spectroscopy

scientific article published on February 2015

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

scientific article published on 31 January 2014

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