Steve Scheiner

发表

Comparative study of metal‐porphyrins, ‐porphyrazines, and ‐phthalocyanines

Meng-Sheng Liao, Steve Scheiner, S. Scheiner, 2002, J. Comput. Chem..

Effects of Crew-Aiding Behaviors on Soldier Performance During Target Engagement Tasks in a Virtual Battlefield Simulation

Steve Scheiner, Bruce S. Sterling, Deborah Butler, 2007 .

The balance between side-chain and backbone-driven association in folding of the α-helical influenza A transmembrane peptide

Antonios Kolocouris, Steve Scheiner, Ioannis Stylianakis, 2020, J. Comput. Chem..

Segmentation and additive approach: A reliable technique to study noncovalent interactions of large molecules at the surface of single‐wall carbon nanotubes

Ana M. Torres, Steve Scheiner, Ajit K. Roy, 2016, J. Comput. Chem..

Variation of atomic charges during proton transfer in hydrogen bonds

Steve Scheiner, Jan Florián, J. Florián, 1994, J. Comput. Chem..

Effect of nonproximate atomic substitution on excited state intramolecular proton transfer

Martin Cuma, Steve Scheiner, Clifton Thompson, 1998, J. Comput. Chem..

Performance assessment of density‐functional methods for study of charge‐transfer complexes

Yun Lu, Meng-Sheng Liao, Steve Scheiner, 2003, J. Comput. Chem..

Comparison of Various Means of Evaluating Molecular Electrostatic Potentials for Noncovalent Interactions

Steve Scheiner, S. Scheiner, 2018, J. Comput. Chem..

INTERNAL ROTATIONS IN ALIPHATIC MOLECULES: N‐BUTANE AND 2,2,3,3‐TETRAFLUOROBUTANE

Steve Scheiner, 1980 .

Variational transition state theory calculation of proton transfer dynamics in (H3CH...CH3)

Steve Scheiner, S. Scheiner, Alan D. Isaacson, 1993 .

Sensitivity of Pnicogen, Chalcogen, Halogen and H-Bonds to Angular Distortions

Steve Scheiner, Upendra Adhikari, S. Scheiner, 2012 .

Theoretical study of H2O–HF and H2O–HCl: Comparison with experiment

Steve Scheiner, S. Scheiner, M. Szczęśniak, 1984 .

Hydrogen Bonding: A Theoretical Perspective

Steve Scheiner, S. Scheiner, 1997 .

Strength of the CαH··O Hydrogen Bond of Amino Acid Residues*

Steve Scheiner, Tapas Kar, S. Scheiner, 2001, The Journal of Biological Chemistry.

Hydrogen Bonding and Proton Transfers of the Amide Group

Steve Scheiner, S. Scheiner, Lan Wang, 1993 .

DFT Calculations and Spectral Measurements of Charge-Transfer Complexes Formed by Aromatic Amines and Nitrogen Heterocycles with Tetracyanoethylene and Chloranil

Meng-Sheng Liao, Steve Scheiner, S. Scheiner, 2003 .

Influence of Hybridization and Substitution upon the Properties of the CH··O Hydrogen Bond

Steve Scheiner, Tapas Kar, S. Scheiner, 2001 .

The pnicogen bond: its relation to hydrogen, halogen, and other noncovalent bonds.

Steve Scheiner, S. Scheiner, 2013, Accounts of chemical research.

Effects of Multiple Substitution upon the P∙∙∙N Noncovalent Interaction

Steve Scheiner, S. Scheiner, 2011 .

Evaluation of DFT Methods to Study Reactions of Benzene with OH Radical

Steve Scheiner, S. Scheiner, 2012 .

Comparison of Cooperativity in CH···O and OH···O Hydrogen Bonds

Steve Scheiner, Tapas Kar, S. Scheiner, 2004 .

Effects of external ions on the energetics of proton transfers across hydrogen bonds

Steve Scheiner, Paul C. Redfern, P. Redfern, 1985 .

SH···N and SH···P blue-shifting H-bonds and N···P interactions in complexes pairing HSN with amines and phosphines.

Steve Scheiner, Mohammad Solimannejad, S. Scheiner, 2011, The Journal of chemical physics.

Substituent effects on CL···N, S···N, and P···N noncovalent bonds.

Steve Scheiner, Upendra Adhikari, S. Scheiner, 2012, The journal of physical chemistry. A.

Comparison of σ‐hole and π‐hole tetrel bonds in complexes of borazine with TH 3 F and F 2 TO/H 2 TO (T = C, Si, Ge)

Steve Scheiner, Qingzhong Li, Shufeng Liu, 2019, International Journal of Quantum Chemistry.

Unusual Low-Vibrational C═O Mode of COOH Can Distinguish between Carboxylated Zigzag and Armchair Single-Wall Carbon Nanotubes

Steve Scheiner, Ajit K. Roy, Holger F. Bettinger, 2012 .

Contributions of NH...O and CH...O hydrogen bonds to the stability of beta-sheets in proteins.

Steve Scheiner, S. Scheiner, 2006, The journal of physical chemistry. B.

Fundamental Properties of the CH···O Interaction: Is It a True Hydrogen Bond?

Steve Scheiner, Tapas Kar, S. Scheiner, 1999 .

Electronic structure and bonding in metal phthalocyanines, Metal=Fe, Co, Ni, Cu, Zn, Mg

Meng-Sheng Liao, Steve Scheiner, S. Scheiner, 2001 .

Calculating the Properties of Hydrogen Bonds by ab Initio Methods

Steve Scheiner, S. Scheiner, 1991 .

Proton Transfers in Hydrogen Bonded Systems. Cationic Oligomers of Water

Steve Scheiner, S. Scheiner, 1981 .

Noncovalent π−π Stacking and CH---π Interactions of Aromatics on the Surface of Single-Wall Carbon Nanotubes: An MP2 Study

Steve Scheiner, Ajit K. Roy, Holger F. Bettinger, 2008 .

Effects of substituents upon the P···N noncovalent interaction: the limits of its strength.

Steve Scheiner, S. Scheiner, 2011, The journal of physical chemistry. A.

A new noncovalent force: comparison of P···N interaction with hydrogen and halogen bonds.

Steve Scheiner, S. Scheiner, 2011, The Journal of chemical physics.

The CH··O Hydrogen Bond. A Historical Account

Steve Scheiner, S. Scheiner, 2005 .

Definition of the hydrogen bond (IUPAC Recommendations 2011)

David J. Nesbitt, Pavel Hobza, Gautam R. Desiraju, 2011 .

Reliability of Approximate Methods to Study Tip-Functionalized Single-Wall Carbon Nanotubes

Steve Scheiner, Tapas Kar, S. Scheiner, 2012 .

Comparison of Morokuma and perturbation theory approaches to decomposition of interaction energy. (NH4)+…NH3

Steve Scheiner, S. Scheiner, Sławomir M. Cybulski, 1990 .

Molecular orbital investigation of multiply hydrogen bonded systems. Formic acid dimer and DNA base pairs

Steve Scheiner, S. Scheiner, C. W. Kern, 1979 .

Effects of carbon chain substituents on the P⋯N noncovalent bond

Steve Scheiner, Upendra Adhikari, S. Scheiner, 2012 .

Defining the hydrogen bond: An account (IUPAC Technical Report)

David J. Nesbitt, Pavel Hobza, Gautam R. Desiraju, 2011 .

Relative strengths of NH..O and CH..O hydrogen bonds between polypeptide chain segments.

Steve Scheiner, S. Scheiner, 2005, The journal of physical chemistry. B.

Abilities of different electron donors (D) to engage in a P···D noncovalent interaction.

Steve Scheiner, Upendra Adhikari, S. Scheiner, 2011, The journal of physical chemistry. A.

IR Characterization of Tip-Functionalized Single-Wall Carbon Nanotubes

Steve Scheiner, Holger F. Bettinger, Tapas Kar, 2010 .

Critical Assessment of Density Functional Methods for Study of Proton Transfer Processes (FHF)

Steve Scheiner, S. Scheiner, Z. Latajka, 1995 .

Red- versus Blue-Shifting Hydrogen Bonds: Are There Fundamental Distinctions?

Steve Scheiner, Tapas Kar, S. Scheiner, 2002 .

Theoretical study of proton transfers between base pairs of DNA

Steve Scheiner, S. Scheiner, C. W. Kern, 1978 .

Detailed comparison of the pnicogen bond with chalcogen, halogen, and hydrogen bonds

Steve Scheiner, S. Scheiner, 2013 .

Proton transfers in hydrogen-bonded systems. 2. Electron correlation effects in diamminehydrogen(1+)

Lawrence B. Harding, Steve Scheiner, 1981 .