Steve Scheiner

Publication Activity (10 Years)

Years Active: 1994-2022
Publications (10 Years): 5

Top Topics

Molecular Interactions

Top Venues

J. Comput. Chem.

Publications

Steve Scheiner
Maximal occupation by bases of π-hole bands surrounding linear molecules. J. Comput. Chem. 43 (5) (2022)
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) (2022)
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) (2020)
Steve Scheiner
Comparison of Various Means of Evaluating Molecular Electrostatic Potentials for Noncovalent Interactions. J. Comput. Chem. 39 (9) (2018)
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) (2016)
Meng-Sheng Liao, Yun Lu, Steve Scheiner
Performance assessment of density-functional methods for study of charge-transfer complexes. J. Comput. Chem. 24 (5) (2003)
Meng-Sheng Liao, Steve Scheiner
Comparative study of metal-porphyrins, -porphyrazines, and -phthalocyanines. J. Comput. Chem. 23 (15) (2002)
Martin Cuma, Clifton Thompson, Steve Scheiner
Effect of nonproximate atomic substitution on excited state intramolecular proton transfer. J. Comput. Chem. 19 (2) (1998)
Jan Florián, Steve Scheiner
Variation of Atomic Charges during Proton Transfer in Hydrogen Bonds. J. Comput. Chem. 15 (5) (1994)