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The Journal of Physical Chemistry. A|December 6, 2008
Calculation of magnetically induced currents in hydrocarbon nanoringsStefan Taubert, Dage Sundholm, Jonas Jusélius, et al.
The Journal of Chemical Physics|December 3, 2008
Heat of formation of the HOSO2 radical from accurate quantum chemical calculationsWim Klopper, David P Tew, Núria González-García, et al.
Journal of Chemical Theory and Computation|November 28, 2015
Unexpected Trimerization of Pyrazine in the Coordination Sphere of Low-Valent Titanocene FragmentsThomas Jung, Rüdiger Beckhaus, Thorsten Klüner, et al.
The Journal of Chemical Physics|September 1, 2006
Accurate computational determination of the binding energy of the SO3 x H2O complexHeike Fliegl, Andreas Glöss, Oliver Welz, et al.
Dalton Transactions (Cambridge, England : 2003)|May 9, 2023
Reaching strong absorption up to 700 nm with new benzo[g]quinoxaline-based heteroleptic copper(I) complexes for light-harvesting applicationsCecilia Bruschi, Xin Gui, Olaf Fuhr, et al.
Physical Chemistry Chemical Physics : PCCP|November 25, 2010
Effects of counterpoise correction and basis set extrapolation on the MP2 geometries of hydrogen bonded dimers of ammonia, water, and hydrogen fluorideA Daniel Boese, Georg Jansen, Martin Torheyden, et al.
The Journal of Chemical Physics|December 17, 2009
Low-lying absorption and emission spectra of pyrene, 1,6-dithiapyrene, and tetrathiafulvalene: A comparison between ab initio and time-dependent density functional methodsIoannis S K Kerkines, Ioannis D Petsalakis, Giannoula Theodorakopoulos, et al.
Plos One|September 22, 2022
How relevant is climate change research for climate change policy? An empirical analysis based on Overton dataLutz Bornmann, Robin Haunschild, Kevin Boyack, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|February 27, 2020
Computation of Electromagnetic Properties of Molecular EnsemblesIvan Fernandez-Corbaton, Dominik Beutel, Carsten Rockstuhl, et al.
The Journal of Chemical Physics|September 1, 2006
Basis-set extrapolation techniques for the accurate calculation of molecular equilibrium geometries using coupled-cluster theoryMiriam Heckert, Mihály Kállay, David P Tew, et al.
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