Steve Scheiner - researchr alias

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Viewing Publication 1 - 9 from 9

2022

Maximal occupation by bases of π-hole bands surrounding linear moleculesSteve Scheiner. jcc, 43(5):319-330, 2022. [doi]

On the reliability of atoms in molecules, noncovalent index, and natural bond orbital to identify and quantify noncovalent bondsSteve Scheiner. jcc, 43(26):1814-1824, 2022. [doi]

2020

The balance between side-chain and backbone-driven association in folding of the α-helical influenza A transmembrane peptideIoannis Stylianakis, Ariella Shalev, Steve Scheiner, Michael P. Sigalas, Isaiah T. Arkin, Nikolas Glykos, Antonios Kolocouris. jcc, 41(25):2177-2188, 2020. [doi]

2018

Comparison of Various Means of Evaluating Molecular Electrostatic Potentials for Noncovalent InteractionsSteve Scheiner. jcc, 39(9):500-510, 2018. [doi]

2016

Segmentation and additive approach: A reliable technique to study noncovalent interactions of large molecules at the surface of single-wall carbon nanotubesAna M. Torres, Steve Scheiner, Ajit K. Roy, Andrés M. Garay-Tapia, John Bustamante, Tapas Kar. jcc, 37(21):1953-1961, 2016. [doi]

2003

Performance assessment of density-functional methods for study of charge-transfer complexesMeng-Sheng Liao, Yun Lu, Steve Scheiner. jcc, 24(5):623-631, 2003. [doi]

2002

Comparative study of metal-porphyrins, -porphyrazines, and -phthalocyaninesMeng-Sheng Liao, Steve Scheiner. jcc, 23(15):1391-1403, 2002. [doi]

1998

Effect of nonproximate atomic substitution on excited state intramolecular proton transferMartin Cuma, Clifton Thompson, Steve Scheiner. jcc, 19(2):129-138, 1998. [doi]

1994

Variation of Atomic Charges during Proton Transfer in Hydrogen BondsJan Florián, Steve Scheiner. jcc, 15(5):553-560, 1994.

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