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The Journal of Chemical Physics|February 8, 2013
Semilocal and hybrid meta-generalized gradient approximations based on the understanding of the kinetic-energy-density dependenceJianwei Sun, Robin Haunschild, Bing Xiao, et al.
The Journal of Physical Chemistry. A|July 29, 2009
Accurate coupled cluster calculations of the reaction barrier heights of two CH3* + CH4 reactionsWim Klopper, Rafał A Bachorz, David P Tew, et al.
Physical Chemistry Chemical Physics : PCCP|April 23, 2013
Intrinsic fluorescence properties of rhodamine cations in gas-phase: triplet lifetimes and dispersed fluorescence spectraJean-François Greisch, Michael E Harding, Mattias Kordel, et al.
Inorganic Chemistry|March 15, 2016
Gas-Phase Photoluminescence Characterization of Stoichiometrically Pure Nonanuclear Lanthanoid Hydroxo Complexes Comprising Europium or GadoliniumJean-François Greisch, Jiří Chmela, Michael E Harding, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|May 14, 2024
Dual Role of a Novel Heteroleptic Cu(I) Complex in Visible-Light-Driven CO2 ReductionCecilia Bruschi, Xin Gui, Pascal Rauthe, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 24, 2016
A Boron-Fluorinated Tris(pyrazolyl)borate Ligand ((F) Tp*) and Its Mono- and Dinuclear Copper Complexes [Cu((F) Tp*)2 ] and [Cu2 ((F) Tp*)2 ]: Synthesis, Structures, and DFT CalculationsTimo Augenstein, Franziska Dorner, Kevin Reiter, et al.
The Journal of Chemical Physics|November 22, 2022
Approaching the basis-set limit of the dRPA correlation energy with explicitly correlated and projector augmented-wave methodsMoritz Humer, Michael E Harding, Martin Schlipf, et al.
The Journal of Chemical Physics|August 6, 2022
Molecular dynamics of linear molecules in strong magnetic fieldsLaurenz Monzel, Ansgar Pausch, Laurens D M Peters, et al.
The Journal of Physical Chemistry. A|February 17, 2018
Vibronic Coupling Analysis of the Ligand-Centered Phosphorescence of Gas-Phase Gd(III) and Lu(III) 9-Oxophenalen-1-one ComplexesJiří Chmela, Jean-François Greisch, Michael E Harding, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|October 22, 2008
pi-Bonding in complexes of benzannulated biscarbenes, -germylenes, and -stannylenes: an experimental and theoretical studyF Ekkehardt Hahn, Alexander V Zabula, Tania Pape, et al.
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