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Journal of Chemical Theory and Computation|April 6, 2016
Exploring the Mechanism of Ultrafast Intersystem Crossing in Rhenium(I) Carbonyl Bipyridine Halide Complexes: Key Vibrational Modes and Spin-Vibronic Quantum DynamicsYu Harabuchi, Julien Eng, Etienne Gindensperger, et al.Journal of Chemical Theory and Computation|July 25, 2019
Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal ComplexesFelix Plasser, Sebastian Mai, Maria Fumanal, et al.The Journal of Chemical Physics|March 3, 2005
Quantum chemical study of the electronic structure of NiCH2 + in its ground state and low-lying electronic excited statesSébastien Villaume, Chantal Daniel, Alain Strich, et al.Physical Chemistry Chemical Physics : PCCP|January 3, 2008
A coupled cluster study of the electronic spectroscopy and photochemistry of Cr(CO)6Sébastien Villaume, Alain Strich, Chantal Daniel, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|August 23, 2014
Photophysical properties of ruthenium(II) polypyridyl DNA intercalators: effects of the molecular surroundings investigated by theoryThibaut Véry, David Ambrosek, Miho Otsuka, et al.The Journal of Physical Chemistry. A|July 24, 2012
Spin-orbit treatment of UV-vis absorption spectra and photophysics of rhenium(I) carbonyl-bipyridine complexes: MS-CASPT2 and TD-DFT analysisRadka Heydová, Etienne Gindensperger, Roberta Romano, et al.The Journal of Chemical Physics|August 22, 2023
Theoretical spectroscopy for unraveling the intensity mechanism of the optical and photoluminescent spectra of chiral Re(I) transition metal complexesRami Shafei, Ai Hamano, Christophe Gourlaouen, et al.European Radiology|July 23, 2024
Validation of a commercially available CAD-system for lung nodule detection and characterization using CT-scansJasika Paramasamy, Souvik Mandal, Maurits Blomjous, et al.Physical Chemistry Chemical Physics : PCCP|October 7, 2017
Excited-states of a rhenium carbonyl diimine complex: solvation models, spin-orbit coupling, and vibrational sampling effectsSebastian Mai, Hugo Gattuso, Maria Fumanal, et al.Physical Chemistry Chemical Physics : PCCP|March 26, 2015
A computational mechanistic investigation of hydrogen production in water using the [Rh(III)(dmbpy)2Cl2](+)/[Ru(II)(bpy)3](2+)/ascorbic acid photocatalytic systemMegumi Kayanuma, Thibaut Stoll, Chantal Daniel, et al.Pageof 9