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Comparison of Various Means of Evaluating Molecular Electrostatic Potentials for Noncovalent Interactions.. J. Comput. Chem., 39 (9): 500-510 (2018)Segmentation and additive approach: A reliable technique to study noncovalent interactions of large molecules at the surface of single-wall carbon nanotubes., , , , , and . J. Comput. Chem., 37 (21): 1953-1961 (2016)Maximal occupation by bases of π-hole bands surrounding linear molecules.. J. Comput. Chem., 43 (5): 319-330 (2022)On the reliability of atoms in molecules, noncovalent index, and natural bond orbital to identify and quantify noncovalent bonds.. J. Comput. Chem., 43 (26): 1814-1824 (2022)Definition of the hydrogen bond (IUPAC Recommendations 2011), , , , , , , , , and 4 other author(s). (2011)Effect of nonproximate atomic substitution on excited state intramolecular proton transfer., , and . J. Comput. Chem., 19 (2): 129-138 (1998)The balance between side-chain and backbone-driven association in folding of the α-helical influenza A transmembrane peptide., , , , , , and . J. Comput. Chem., 41 (25): 2177-2188 (2020)Performance assessment of density-functional methods for study of charge-transfer complexes., , and . J. Comput. Chem., 24 (5): 623-631 (2003)Variation of Atomic Charges during Proton Transfer in Hydrogen Bonds., and . J. Comput. Chem., 15 (5): 553-560 (1994)Comparative study of metal-porphyrins, -porphyrazines, and -phthalocyanines., and . J. Comput. Chem., 23 (15): 1391-1403 (2002)