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Journal of Computational Chemistry|March 4, 2011
Rate constants for hydrogen abstraction reactions by the hydroperoxyl radical from methanol, ethenol, acetaldehyde, toluene, and phenolMohammednoor Altarawneh, Ala'A H Al-Muhtaseb, Bogdan Z Dlugogorski, et al.Journal of Computational Chemistry|March 4, 2011
Effect of the damping function in dispersion corrected density functional theoryStefan Grimme, Stephan Ehrlich, Lars GoerigkJournal of Computational Chemistry|March 23, 2011
The charge-transfer states in a stacked nucleobase dimer complex: a benchmark studyAdélia J A Aquino, Dana Nachtigallova, Pavel Hobza, et al.Journal of Computational Chemistry|March 23, 2011
Density functional study of structural, electronic, and optical properties of small bimetallic ruthenium-copper clustersEfstathios E Karagiannis, Christos E Kefalidis, Ioanna Petrakopoulou, et al.Journal of Computational Chemistry|March 23, 2011
Competitive diamond-like and endohedral fullerene structures of Si70Li-Zhen Zhao, Wan-Sheng Su, Wen-Cai Lu, et al.Journal of Computational Chemistry|March 23, 2011
Electronic ground states and vibrational frequency shifts of diatomic ligands in heme adductsYang Liu, Huai SunJournal of Computational Chemistry|March 23, 2011
O(NlogN) continuous electrostatics method for fast calculation of solvation energies of biomoleculesP O Fedichev, E G Getmantsev, L I MenshikovJournal of Computational Chemistry|March 23, 2011
Combination of the CHARMM27 force field with united-atom lipid force fieldsNicolas Sapay, D Peter TielemanJournal of Computational Chemistry|April 25, 2019
Hydrogen splitting by pyramidalized 13-15 donor-acceptor cryptands: A computational studyMajid El-Hamdi, Alexey Y TimoshkinJournal of Computational Chemistry|April 25, 2019
Nature of halogen-centered intermolecular interactions in crystal growth and design: Fluorine-centered interactions in dimers in crystalline hexafluoropropylene as a prototypeArpita Varadwaj, Helder M Marques, Pradeep R VaradwajPageof 595