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Steve Scheiner
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2020 – today
- 2022
- [j9]Steve Scheiner
:
Maximal occupation by bases of π-hole bands surrounding linear molecules. J. Comput. Chem. 43(5): 319-330 (2022) - [j8]Steve Scheiner
:
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) - 2020
- [j7]Ioannis Stylianakis, Ariella Shalev, Steve Scheiner, Michael P. Sigalas
, Isaiah T. Arkin
, Nicholas M. Glykos
, Antonios Kolocouris
:
The balance between side-chain and backbone-driven association in folding of the α-helical influenza A transmembrane peptide. J. Comput. Chem. 41(25): 2177-2188 (2020)
2010 – 2019
- 2018
- [j6]Steve Scheiner
:
Comparison of Various Means of Evaluating Molecular Electrostatic Potentials for Noncovalent Interactions. J. Comput. Chem. 39(9): 500-510 (2018) - 2016
- [j5]Ana M. Torres, Steve Scheiner, Ajit K. Roy, Andrés M. Garay-Tapia
, John Bustamante, Tapas Kar:
Segmentation and additive approach: A reliable technique to study noncovalent interactions of large molecules at the surface of single-wall carbon nanotubes. J. Comput. Chem. 37(21): 1953-1961 (2016)
2000 – 2009
- 2003
- [j4]Meng-Sheng Liao, Yun Lu, Steve Scheiner:
Performance assessment of density-functional methods for study of charge-transfer complexes. J. Comput. Chem. 24(5): 623-631 (2003) - 2002
- [j3]Meng-Sheng Liao, Steve Scheiner:
Comparative study of metal-porphyrins, -porphyrazines, and -phthalocyanines. J. Comput. Chem. 23(15): 1391-1403 (2002)
1990 – 1999
- 1998
- [j2]Martin Cuma, Clifton Thompson, Steve Scheiner:
Effect of nonproximate atomic substitution on excited state intramolecular proton transfer. J. Comput. Chem. 19(2): 129-138 (1998) - 1994
- [j1]Jan Florián
, Steve Scheiner:
Variation of Atomic Charges during Proton Transfer in Hydrogen Bonds. J. Comput. Chem. 15(5): 553-560 (1994)
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