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The Journal of Chemical Physics|June 10, 2010
Scalar relativistic explicitly correlated R12 methodsFlorian A Bischoff, Edward F Valeev, Wim Klopper, et al.The Journal of Physical Chemistry. A|July 10, 2008
Accurate benchmark calculation of the reaction barrier height for hydrogen abstraction by the hydroperoxyl radical from methane. Implications for C(n)H(2n+2) where n = 2 --> 4Jorge Aguilera-Iparraguirre, Henry J Curran, Wim Klopper, et al.The Journal of Chemical Physics|October 15, 2010
Many-electron self-interaction and spin polarization errors in local hybrid density functionalsRobin Haunschild, Thomas M Henderson, Carlos A Jiménez-Hoyos, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|December 22, 2005
A close look at short C-CH3...potassium contacts: synthetic and theoretical investigations of [M2Co2(mu3-OtBu)2(mu2-OtBu)4(thf)n] (M = Na, K, Rb, thf = tetrahydrofuran)Christopher E Anson, Wim Klopper, Jin-Shan Li, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|September 19, 2012
[{Fe(CO)3}4{SnI}6I4]2-: the first bimetallic adamantane-like clusterSilke Wolf, Florian Winter, Rainer Pöttgen, et al.Physical Chemistry Chemical Physics : PCCP|April 25, 2006
Reactivity of titanium dimer and molecular nitrogen in rare gas matrices. Vibrational and electronic spectra and structure of Ti2N2Hans-Jörg Himmel, Olaf Hübner, Florian A Bischoff, et al.Journal of the American Chemical Society|January 14, 2012
Structure revision of plakotenin based on computational investigation of transition states and spectroscopic propertiesAngela Bihlmeier, Emmanuel Bourcet, Stephanie Arzt, et al.Dalton Transactions (Cambridge, England : 2003)|March 10, 2022
Systematic investigation of the influence of electronic substituents on dinuclear gold(I) amidinates: synthesis, characterisation and photoluminescence studiesFrederic Krätschmer, Xin Gui, Michael T Gamer, et al.Dalton Transactions (Cambridge, England : 2003)|July 27, 2012
[XIm][FeI(CO)3(SnI3)2] (XIm: EMIm, EHIm, PMIm) containing a barbell-shaped FeSn2-carbonyl complexSilke Wolf, Florian Winter, Rainer Pöttgen, et al.The Journal of Physical Chemistry. A|April 8, 2021
Structures of Small Tantalum Cluster Anions: Experiment and TheoryManuel Kraft, Jesús R Flores, Wim Klopper, et al.Pageof 20