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Journal of Computational Chemistry|November 2, 2012
Consistent Gaussian basis sets of triple-zeta valence with polarization quality for solid-state calculationsMichael F Peintinger, Daniel Vilela Oliveira, Thomas BredowJournal of Computational Chemistry|November 2, 2012
STAAR: statistical analysis of aromatic ringsDavid D Jenkins, Jason B Harris, Elizabeth E Howell, et al.Journal of Computational Chemistry|November 2, 2012
An accurate and efficient method to predict the electronic excitation energies of BODIPY fluorescent dyesJia-Nan Wang, Jun-Ling Jin, Yun Geng, et al.Journal of Computational Chemistry|November 6, 2012
Free energy simulation of helical transitionsNing Ma, Ying-Hua Chung, Arjan van der VaartJournal of Computational Chemistry|September 4, 2012
GPGPU for orbital function evaluation with a new updating schemeYutaka Uejima, Ryo MaezonoJournal of Computational Chemistry|September 4, 2012
The role of water in the adsorption of oxygenated aromatics on Pt and PdJin Yang, Paul J Dauenhauer, Ashwin RamasubramaniamJournal of Computational Chemistry|September 6, 2012
Pseudopotentials for hybridized carbon atomsJ Drujon, Y CarissanJournal of Computational Chemistry|September 12, 2012
An analytical method for computing atomic contact areas in biomoleculesPaul Mach, Patrice KoehlJournal of Computational Chemistry|October 16, 2012
GRID: a high-resolution protein structure refinement algorithmMohsen Chitsaz, Stephen L MayoJournal of Computational Chemistry|July 31, 2020
Interatomic exchange-correlation interaction energy from a measure of quantum theory of atoms in molecules topological bonding: A diatomic caseAleksei A Anisimov, Ivan V AnanyevPageof 598