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Chemistry (Weinheim an Der Bergstrasse, Germany)|April 19, 2007
51V NMR chemical shifts calculated from QM/MM models of vanadium chloroperoxidaseMark P Waller, Michael Bühl, K R Geethalakshmi, et al.Physical Chemistry Chemical Physics : PCCP|August 23, 2016
Photocycloaddition reaction of atropisomeric maleimides: mechanism and selectivityXue-Ping Chang, Yiying Zheng, Ganglong Cui, et al.Journal of the American Chemical Society|December 11, 2003
Spherical sila- and germa-homoaromaticityZhongfang Chen, Andreas Hirsch, Shigeru Nagase, et al.The Journal of Chemical Physics|August 7, 2008
Vibrational energies of PH3 calculated variationally at the complete basis set limitRoman I Ovsyannikov, Walter Thiel, Sergei N Yurchenko, et al.Physical Chemistry Chemical Physics : PCCP|February 26, 2015
Excited-state intramolecular proton transfer to carbon atoms: nonadiabatic surface-hopping dynamics simulationsShu-Hua Xia, Bin-Bin Xie, Qiu Fang, et al.Angewandte Chemie (International Ed. in English)|November 29, 2013
Gold carbenoids: lessons learnt from a transmetalation approachGünter Seidel, Barbara Gabor, Richard Goddard, et al.Angewandte Chemie (International Ed. in English)|February 24, 2017
Hydroxy-Directed Ruthenium-Catalyzed Alkene/Alkyne Coupling: Increased Scope, Stereochemical Implications, and Mechanistic RationaleStephan M Rummelt, Gui-Juan Cheng, Puneet Gupta, et al.Journal of the American Chemical Society|October 27, 2018
Mechanism of the Visible-Light-Mediated Copper-Catalyzed Coupling Reaction of Phenols and AlkynesPin Xiao, Chun-Xiang Li, Wei-Hai Fang, et al.The Journal of Chemical Physics|November 9, 2010
Benchmarks of electronically excited states: basis set effects on CASPT2 resultsMario R Silva-Junior, Marko Schreiber, Stephan P A Sauer, et al.The Journal of Physical Chemistry. B|February 1, 2014
Photophysics of flavin derivatives absorbing in the blue-green region: thioflavins as potential cofactors of photoswitchesChristel M Marian, Setsuko Nakagawa, Vidisha Rai-Constapel, et al.Pageof 59