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Steve Scheiner

Profile Picture

Computational Chemistry

Professor


Educational Background

PhD, Chemical Physics, Harvard University, 1976
Other, Chemistry, Harvard University, 1974
BS, Chemistry, City College of New York, 1972





Contact Information

Office Location: ML361
DialPhone: (435) 797-7419
SendEmail: steve.scheiner@usu.edu

Awards

IUPAC Fellow, 2011

IUPAC

D. Wynne Thorne Career Research Award, 2010

Utah State University

H-Index Exceeds 50 on National Registry of Chemical Reesearchers, 2008

Outstanding Scholar Award, 1993

Southern Illinois University

Kaplan Research Award, 1989

College of Science Researcher Award, 1986


    Publications - Books & Book Chapters

      Books

    • Scheiner, S.I, (2015). Noncovalent Forces. Springer
    • Scheiner, S.I, (1997). Molecular Interactions. From van der Waals to Strongly Bound Complexes. Wiley Press
    • Book Chapters

    • Scheiner, S.I, (2016). Dissection of the Factors Affecting Formation of a CH∙∙∙O H-bond. A Case Study: Analysis of Hydrogen Bonds in Crystals. MDPI Press
    • Scheiner, S.I, (2015). Introduction to the Volume: Noncovalent Forces. Springer *
    • Scheiner, S.I, (2015). The CH--O H-bond as a determining factor in molecular structure: Noncovalent Forces. Springer *
    • Scheiner, S.I, (2008). Solvation of Hydrogen Bonded Systems: CH••O, OH••O, and Cooperativity: Computational Methods and Applications, Springer Series: Challenges and Advances in Computational Chemistry and Physics.

    * Has not been peer reviewed

    Publications - Fact Sheets

      * Has not been peer reviewed

      Publications - Curriculum

        * Has not been peer reviewed

        Publications - Journal Articles

          Academic Journal

        • Liu, M., Li, Q., Scheiner, S.I, (2017). Comparison of tetrel bonds in neutral and protonated complexes of pyridineTF3 and furanTF3 (T = C, Si, and Ge) with NH3. Phys. Chem. Chem. Phys., 19:7, 5550-5559.
        • Kasende, O.E, Matondo, A., Muya, J.T, Scheiner, S.I, (2017). Interactions between temozolomide and guanine and its S and Se-substituted analogues. International Journal of Quantum Chemistry, 117:3, 157–169.
        • Scheiner, S.I, (2016). Assessment of the Presence and Strength of H-Bonds by Means of Corrected NMR. Molecules, 21:11, 1426.
        • de Paul N. Nziko, Vincent, , Scheiner, S.I, (2016). Effects of Angular Deformation on the Energetics of the SN2 Reaction. European Journal of Organic Chemistry, 2016:23, 3964–3968.
        • Scheiner, S.I, (2016). Highly Selective Halide Receptors Based on Chalcogen, Pnicogen, and Tetrel Bonds. Chemistry – A European Journal, 22:52, 18850–18858.
        • Kasende, O.E, Muya, J.T, Paul N. Nziko, Vincent, , Scheiner, S.I, (2016). Hydrogen bonded and stacked geometries of the temozolomide dimer. Journal of Molecular Modeling, 22:4, 1–9.
        • Kasende, O.E, Nzuwah-Nziko, Vincent de Paul, , Scheiner, S.I, (2016). Interactions between temozolomide and quercetin. Structural Chemistry, 27:5, 1577–1588.
        • Kasende, O.E, Vincent de Paul N. Nziko, , Scheiner, S.I, (2016). Interactions of Nucleic Acid Bases with Temozolomide. Stacked, Perpendicular, and Coplanar Heterodimers. The Journal of Physical Chemistry B, 120:35, 9347-9361.
        • Scheiner, S.I, (2016). Interpretation of Spectroscopic Markers of Hydrogen Bonds. ChemPhysChem, 17:14, 2263–2271.
        • Torres, A.M, Scheiner, S.I, Roy, A.K, Garay-Tapia, A.M, Bustamante, J., Kar, T., (2016). Segmentation and additive approach: A reliable technique to study noncovalent interactions of large molecules at the surface of single-wall carbon nanotubes. Journal of Computational Chemistry, 37:21, 1953–1961.
        • Driver, R.W, Claridge, T.D, Scheiner, S.I, Smith, M.D, (2016). Torsional and Electronic Factors Control the C−H⋅⋅⋅O Interaction. Chemistry – A European Journal, 22:46, 16513–16521.
        • Nepal, B., Scheiner, S.I, (2015). Competitive Halide Binding by Halogen Versus Hydrogen Bonding: Bis-triazole Pyridinium. Chemistry – A European Journal, 21:38, 13330–13335.
        • Adhikari, U., Scheiner, S.I, (2013). The Magnitude and Mechanism of Charge Enhancement of CH••O H-bonds. J. Phys. Chem. A, 117, 10551-10562.
        • Scheiner, S.I, (2011). A New Noncovalent Force: Comparison of P∙∙∙N Interaction with Hydrogen and Halogen Bonds. Journal of Chemical Physics, 134
        • Arunan, E., Desiraju, G.R, Klein, R.A, Sadlej, J., Scheiner, S.I, Alkorta, I., Clary, D.C, Crabtree, R.H, Dannenberg, J.J, Hobza, P., Kjaergaard, H.G, Legon, A.C, Mennucci, B., Nesbitt, D.J, (2011). Definition of the Hydrogen Bond: An Account. Pure and Applied Chemistry, 83, 1619-1636.
        • Arunan, E., Desiraju, G.R, Klein, R.A, Sadlej, J., Scheiner, S.I, Alkorta, I., Clary, D.C, Crabtree, R.H, Dannenberg, J.J, Hobza, P., Kjaergaard, H.G, Legon, A.C, Mennucci, B., Nesbitt, D.J, (2011). Definition of the Hydrogen Bond: IUPAC Recommendations. Pure and Applied Chemistry, 83, 1637-1641.
        • Scheiner, S.I, Evaluation of DFT Methods to Study Reactions of Benzene with OH Radical . International Journal of Quantum Chemistry
        • Scheiner, S.I, (2011). On the Properties of X∙∙∙N Noncovalent Interactions for First, Second and Third-Row X Atoms. Journal of Chemical Physics, 134, 164313.
        • Solimannejad, M., Gharabaghi, M., Scheiner, S.I, (2011). SH∙∙∙N and SH∙∙∙P Blue-Shifting H-Bonds and N∙∙∙P Interactions in Complexes Pairing HSN with Amines and Phosphines. Journal of Chemical Physics, 134
        • Solimannejad, M., Scheiner, S.I, (2011). Unconventional H-Bonds: SH∙∙∙N Interaction. International Journal of Quantum Chemistry, 111, 3196-3200.
        • Scheiner, S.I, (2011). Weak H-bonds. Comparisons of CH∙∙∙O to NH∙∙∙O in Proteins and PH∙∙∙N to Direct P∙∙∙N Interactions. Physical Chemistry Chemical Physics, 13, 13860 - 13872.
        • Scheiner, S.I, Kar, T., (2010). Analysis of the Reactivities of Protein C-H Bonds to H Atom Abstraction by OH Radical . Journal of the American Chemical Society, 132, 16450-16459.
        • Scheiner, S.I, (2010). Cooperativity of Multiple H-Bonds in Influencing Structural and Spectroscopic Features of the Peptide Unit of Proteins. Journal of Molecular Structure, 976, 49-55.
        • Scheiner, S.I, (2010). Effect of CH∙∙O Hydrogen Bond Length on the Geometric and Spectroscopic Features of the Peptide Unit of Proteins . International Journal of Quantum Chemistry, 110, 2775-2783.
        • Kar, T., Patnaik, S., Bettinger, H., Roy, A., Scheiner, S.I, (2010). IR Characterization of Tip-Functionalized Single-Wall Carbon Nanotubes . Journal of Physical Chemistry C, 114, 20955-20961.
        • Scheiner, S.I, (2010). Theoretical Analysis of the Contributions Made by CH∙∙O H-bonds to Protein Structure. Current Organic Chemistry, 14, 106-128.
        • Solimannejad, M., Massahi, S., Scheiner, S.I, (2009). Existence and Characterization of HOO-HOOOH Radical-Molecule Complexes: A computational study. Journal of Molecular Structure: Theochem, 913, 50-53.
        • Scheiner, S.I, (2009). Identification of Spectroscopic Patterns of CH--O H-Bonds in Dipeptides. Journal of Physical Chemistry B, 113, 10421-10427.
        • Scheiner, S.I, (2009). Ingredients Necessary for Proton Transfer in Enzymes. Israel Journal of Chemistry, 49, 139-147.
        • Solimannejad, M., Scheiner, S.I, (2009). Nature of Interactions in Open-Shell Complexes Pairing H2X with HXX, X=S,O. Molecular Physics, 107, 713-719.
        • Scheiner, S.I, Seybold, P.G, (2009). Quantum Chemical Analysis of the Energetics of the anti- and gauche- Conformers of Ethanol. Structural Chemistry, 20, 46-48.
        • Jenkins, H.D, Liebman, J.F, Ponkivar, M., Scheiner, S.I, (2009). The Heat Capacities and Standard Entropies of Corresponding Potassium and Ammonium Ion Species: Is There a Constant Difference?. Structural Chemistry, 20, 31-35.
        • Scheiner, S.I, (2008). Analysis of Catalytic Mechanism of Serine Proteases. Viability of Ring-Flip Hypothesis. Journal of Physical Chemistry B, 112, 6837-6846.
        • Kryachko, E.S, Scheiner, S.I, (2008). Bonding Rearrangements of Hydrogen Bonded Complexes involving Alkynes. Journal of Physical Chemistry A, 112, 1940-1945.
        • Scheiner, S.I, (2008). Complexes Pairing Hypohalous Acids with Nitrosyl Hydride. Blue Shift of a NH Bond that is Uninvolved in a H-bond. Journal of Physical Chemistry A, 112, 4120-4124.
        • Kar, T., Bettinger, H., Scheiner, S.I, Roy, A.K, (2008). Noncovalent π-π Stacking and CH--π Interactions of Aromatics on the Surface of Single-Wall Carbon Nanotubes (SWNTs) - A MP2 Study. Journal of Physical Chemistry C, 112, 20070-20075.
        • Liao, M.S, Watts, J.D, Gorun, S.M, Scheiner, S.I, Huang, M.J, (2008). Structure and Properties of Perfluoroalkylated Phthalocyanines. A Theoretical Study. Journal of Theoretical Computational Chemistry, 7:541-563
        • Kar, T., Scheiner, S.I, Roy, A.K, (2008). The Effect on Acidity of Size and Shape of Carboxylated Single-Wall Carbon Nanotubes. A DFT-SLDB Study. Chemical Physics Letters, 460, 225-229.
        • Kar, T., Scheiner, S.I, (2006). Cooperativity of Conventional and Unconventional Hydrogen Bonds involving Imidazole. Int. J. Quantum Chem., 106:4, 843-851.
        • Scheiner, S.I, Kar, T., (2005). Effect of Solvent upon CH••O Hydrogen Bonds with Implications for Protein Folding. J. Phys. Chem B , 109, 3681-3689 .
        • Liao, M., Watts, J.D, Huang, M., Gorun, S.M, Kar, T., Scheiner, S.I, (2005). Effects of Peripheral Substituents on the Electronic Structure and Properties of Unligated and Ligated Metal Phthalocyanines, Metal = Fe, Co, Zn. J Comp Theo Chem , 1, 1201-1210.
        • Pattanayak, J., Kar, T., Scheiner, S.I, (2004). 72. Substitution Patterns in Mono BN-fullerenes: Cn ( n=20,24,28,32,36 and 40). J. Phys. Chem., A, 108, 7681-7685.
        • Liao, M., Kar, T., Scheiner, S.I, (2004). Actinyls in expanded porphyrin. A relativistic density functional study. J. Phys. Chem. A, 108:15, 3056-3063.
        • Kar, T., Scheiner, S.I, (2004). Comparison of Cooperativity in C-H---O and OH---O hydrogen bonds. J. Phys. Chem. A , 108, 9161-9168.
        • Liao, M., Gorun, S.M, Kar, T., Scheiner, S.I, (2004). Effects of Peripheral Substituents and Axial Ligands on the Electronic Structure and Properties of Iron Phthalocyanine. Inorg. Chem., 43, 7151-7161.
        • Kar, T., Pattanayak, J., Scheiner, S.I, (2003). 65. Rules of BN substitution in BCN fullerenes. Separate BN and C zones. J. Phys. Chem , 107, 8630-8637.
        • Kar, T., Scheiner, S.I, (2003). Comparison between hydrogen and dihydrogen bonds among H3BNH3, H2BNH2 and NH3. J. Chem. Phys., 119, 1473-1482.
        • Kar, T., Pattayanak, J., Scheiner, S.I, (2002). BN-substitution of Fullerenes: C60 to C12B24N24 CBN-ball. J. Phys. Chem. A , 106, 2970-2978.
        • Scheiner, S.I, Kar, T., Pattanayak, J., (2002). Comparison of Various Types of Hydrogen Bonds Involving Aromatic Amino Acids. J. Am. Chem. Soc. , 124, 13257-13264.
        • Scheiner, S.I, Kar, T., (2002). Red versus Blue-Shifting Hydrogen Bonds: Are There Fundamental Distinctions? . J. Phys. Chem. A , 106, 1784-1789.
        • Scheiner, S.I, Kar, T., (2002). Substituent effects upon protonation-induced red shift of phenyl-pyridine copolymers. J. Phys. Chem. B , 106, 534-539.
        • Scheiner, S.I, Grabowski, s.J, Kar, T., (2001). Influence of Hybridization and Substitution upon the Properties of the CH•••O Hydrogen Bond. J. Phys. Chem. A , 105, 10607-10612.
        • Professional Journal

        • Nepal, B., Scheiner, S.I, (2016). Building a Better Halide Receptor. Optimum Choice of Spacer, Binding Unit, and Halosubstitution. ChemPhysChem, 17, 836-844.
        • nziko, v., Scheiner, S.I, (2016). Catalysis of the Aza-Diels-Alder Reaction by Hydrogen and Halogen Bonds. J. Org. Chem. , 81, 2589-2597.
        • Nziko, V., Scheiner, S.I, (2016). Comparison of π-Hole Tetrel Bonding with σ-Hole Halogen Bonds in Complexes of XCN (X = F, Cl, Br, I) and NH3. Phys. Chem. Chem. Phys. , 18, 3581-3590.
        • Nepal, b., Scheiner, S.I, (2016). Enhancing the Reduction Potential of Quinones via Complex Formation. J. Org. Chem. , 81, 4316-4324.
        • Kasende, O., nziko, v., Scheiner, S.I, (2016). H-bonding and Stacking Interactions between Chloroquine and Temozolomide. Int. J. Quantum. Chem. , 116, 1196-1204.
        • kasende, O., Matondo, A., Muya, J.T, Scheiner, S.I, (2016). Interaction Between Temozolomide and HCl: Preferred Binding Sites. Comp. Theor. Chem., 1075, 82-86.
        • Nepal, b., Scheiner, S.I, (2016). NX∙∙Y Halogen Bonds. Comparison with NH∙∙Y H-bonds and CX∙∙Y Halogen Bonds. Phys. Chem. Chem. Phys., 18, 18015-18023.
        • fick, r., kroner, g., nepal, b., magnani, r., Horowitz, s., Houtz, R., Scheiner, S.I, Trievel, R., (2016). Sulfur - Oxygen Chalcogen Bonding Mediates AdoMet Recognition in the Lysine Methyltransferase SET7/9. ACS Chem. Biol., 11, 748-754.
        • Nepal, B., Scheiner, S.I, (2015). Angular Dependence of Hydrogen Bond Energy in Neutral and Charged Systems containing CH and NH Proton Donors. Chem. Phys. Lett. , 630, 6-11.
        • Nepal, B., Scheiner, S.I, (2015). Anionic CH∙∙X- Hydrogen Bonds. Origin of their Strength, Geometry, and Other Properties. Chem. Eur. J. , 21, 1474-1481.
        • Sundaram, R., Scheiner, S.I, Roy, A., Kar, T., (2015). B=N Bond Cleavage and BN Ring-Expansion at the Surface of Boron Nitride Nanotubes by Iminoborane (HBNH). J. Phys. Chem. C , 119, 3253-3259.
        • azofra, l., Alkorta, I., Scheiner, S.I, (2015). Chalcogen Bonds in Complexes of SOXY (X, Y = F, Cl) with Nitrogen Bases. J. Phys. Chem. A , 119, 535-541.
        • Scheiner, S.I, (2015). Comparison of CH∙∙O, SH∙∙O, Chalcogen, and Tetrel Bonds Formed by Neutral and Cationic Sulfur-Containing Compounds. J. Phys. Chem. A , 119, 9189-9199.
        • Scheiner, S.I, (2015). Dissection of the Factors Affecting Formation of a CH∙∙∙O H-bond. A Case Study. Crystals, 5, 327-345.
        • nziko, v.d, Scheiner, S.I, (2015). Interactions between Thiourea and Imines. Prelude to Catalysis. J. Org. Chem., 54, 10334–10341.
        • Nziko, v.d, Scheiner, S.I, (2015). Intramolecular S∙∙O Chalcogen Bond as Stabilizing Factor in Geometry of Substituted Phenyl-SF3 Molecules. J. Org. Chem. , 80, 2356-2363.
        • Nepal, B., Scheiner, S.I, (2015). Long-Range Behavior of Noncovalent Bonds. Neutral and Charged H-Bonds, Pnicogen, Chalcogen, and Halogen Bonds. Chem. Phys., 456, 34-40.
        • nepal, b., Scheiner, S.I, (2015). Microsolvation of Anions by Molecules Forming CH∙∙X- Hydrogen Bonds. Chem. Phys. , 463, 137-144.
        • Kasende, O., Muya, J.T, Scheiner, S.I, (2015). Regioselectivity of the Interaction of Temozolomide with Borane and Boron Trifloride. Struct. Chem., 26, 1359-1365.
        • Sundaram, R., Scheiner, S.I, Roy, A., Kar, T., (2015). Site and chirality selective chemical modifications of boron nitride nanotubes (BNNTs) via Lewis acid–base interactions. Phys. Chem. Chem. Phys., 17, 3850-3866.
        • Kar, T., Scheiner, S.I, Roy, A., (2015). Structure and properties of [8]BN-circulenes - inorganic analogous of [8]circulenes. J. Phys. Chem. C, 119, 15541-15546.
        • nepal, b., Scheiner, S.I, (2015). Substituent Effects on the Binding of Halides by Neutral and Dicationic Bis-Triazolium Receptors. J. Phys. Chem. A, 119 , 13064–13073.
        • nziko, v., Scheiner, S.I, (2015). S∙∙π Chalcogen Bonds between SF2 or SF4 and C-C Multiple Bonds. J. Phys. Chem. A, 119, 5889-5897.
        • azofra, l., Scheiner, S.I, (2015). Tetrel, Chalcogen, and CH∙∙O Hydrogen Bonds in Complexes Pairing Carbonyl-Containing Molecules with 1, 2, and 3 Molecules of CO2. J. Chem. Phys. , 142, 034307.
        • Scheiner, S.I, (2015). The Interplay between Charge Transfer, Rehybridization, and Atomic Charges in the Internal Geometry of Subunits in Noncovalent Interactions. Int. J. Quantum Chem., 115, 28-33.
        • Azofra, L., Alkorta, I., Scheiner, S.I, (2014). An Exploration of the Ozone Dimer Potential Energy Surface. J. Chem. Phys., 140, 244311.
        • nziko, v., Scheiner, S.I, (2014). Chalcogen Bonding between Tetravalent SF4 and Amines. J. Phys. Chem. A, 118, 10849–10856.
        • Lone, B., Scheiner, S.I, Kar, T., (2014). Competition between Carboxylic and Phenolic Groups for the Preferred Sites at the Periphery of Graphene – A DFT study. Carbon, 80, 405-418.
        • adhikari, u., Scheiner, S.I, (2014). Competition between Lone Pair-π, Halogen Bond, and Hydrogen Bond in Adducts of Water with Perhalogenated Alkenes C2ClnF4-n (n = 0-4). Chem. Phys., 440, 53-63.
        • Azofra, L., Scheiner, S.I, (2014). Complexation of n SO2 Molecules (n=1,2,3) with Formaldehyde and Thioformaldehyde. J. Chem. Phys., 140, 034302.
        • Scheiner, S.I, Azofra, l., (2014). Complexes Containing CO2 and SO2. Mixed Dimers, Trimers and Tetramers. Phys Chem. Chem. Phys., 16, 5142-5149.
        • Adhikari, U., Scheiner, S.I, Roy, A.K, Kar, T., (2014). Do phenolic and carboxylic groups coexist at the tips of oxidized single-wall carbon nanotubes (o-SWNTs)?. Carbon, 73, 194-205.
        • Nepal, B., Scheiner, S.I, (2014). Effect of Ionic Charge upon the CH∙∙π Hydrogen Bond. J. Phys. Chem. A, 118, 9575-9587.
        • Scheiner, S.I, Adhikari, U., (2014). Effects of Charge and Substituent on the S•••N Chalcogen Bond. J. Phys. Chem. A, 118, 3183-3192.
        • kasende, o., Matondo, A., Muzomwe, M., Scheiner, S.I, , Muya, J.T, (2014). Interaction between Temozolomide and Water: Preferred Binding Sites. Comp. Theor. Chem., 1034, 26-31.
        • Horowitz, S., Adhikari, U., Dirk, L., Del Rizzo, P.A, Mehl, R.A, Houtz, R.L, Al-Hashimi, H.M, Scheiner, S.I, Trievel, R.C, (2014). Manipulating Unconventional CH-based Hydrogen Bonding in a Methyltransferase via Unnatural Amino Acid Mutagenesis. ACS Chemical Biology, 9, 1692-1697.
        • Azofra, l., Alkorta, I., Scheiner, S.I, (2014). Noncovalent Interactions in Dimers and Trimers of SO3 and CO. Theor. Chem. Acc., 133, 1586.
        • Scheiner, S.I, Azofra, l., Alkorta, i., (2014). Strongly Bound Noncovalent (SO3)n:H2CO Complexes (n = 1, 2). Phys. Chem. Chem. Phys. , 16, 18974-18981.
        • Scheiner, S.I, azofra, l., (2014). Substituent Effects in the Noncovalent Bonding of SO2 to Molecules containing a Carbonyl Group. The Dominating Role of the Chalcogen Bond. J. Phys. Chem. A, 118, 3835–3845.
        • Horowitz, S., Dirk, L., Yesselman, J., Nimtz, J., Adhikari, U., Mehl, R., Scheiner, S.I, Houtz, R., Al-Hashimi, H., Trievel, R., (2013). Conservation and Functional Importance of Carbon-Oxygen Hydrogen Bonding in AdoMet-dependent Methyltransferases. J. Am. Chem. Soc., 135, 15536-15548.
        • Scheiner, S.I, (2013). Detailed Comparison of the Pnicogen Bond with Chalcogen, Halogen and Hydrogen Bonds. Int. J. Quantum Chem., 113, 1609-1620.
        • Scheiner, S.I, Adhikari, U., (2013). First Steps in Growth of a Polypeptide Toward β-Sheet Structure. J. Phys. Chem. B, 117, 11575-11583.
        • Adhikari, U., Scheiner, S.I, (2013). Preferred Configurations of Peptide-Peptide Interactions. J. Phys. Chem. A, 117, 489-496.
        • Scheiner, S.I, (2013). Sensitivity of Noncovalent Bonds to Intermolecular Separation: Hydrogen, Halogen, Chalcogen, and Pnicogen Bonds. Cryst. Eng. Comm. , 15, 3119-3124.
        • Kar, T., Scheiner, S.I, Adhikari, U., Roy, A., (2013). Site Preferences of Carboyxl Groups on the Periphery of Graphene and their Characteristic IR Spectra. J Phys. Chem. C, 117, 18206-18215.
        • Scheiner, S.I, (2013). The Pnicogen Bond: Its Relation to Hydrogen, Halogen, and Other Noncovalent Bonds. Acc. Chem. Res., 46, 280-288.
        • Jones, C., Baruah, P., Thompson, A., Scheiner, S.I, Smith, M., (2012). Can a C-H•••O interaction be a determinant of conformation?. J. Am. Chem. Soc. , 134, 12064-12071.
        • Scheiner, S.I, adhikari, u., (2012). Contributions of Various Noncovalent Bonds to the Interaction between an Amide and S-Containing Molecules. ChemPhysChem, 13, 3535-3541.
        • Scheiner, S.I, Adhikari, U., (2012). Effects of Carbon Chain Substituent on the P•••N Noncovalent Bond. Chem. Phys. Lett., 536, 30-33.
        • Scheiner, S.I, (2012). Evaluation of DFT Methods to Study Reactions of Benzene with OH Radical . Int. J. Quantum Chem., 112, 1879-1886.
        • Scheiner, S.I, (2012). Extrapolation to the Complete Basis Set Limit for Binding Energies of Noncovalent Interactions. Comput. Theor. Chem., 998, 9-13.
        • Kar, T., Scheiner, S.I, Roy, A.K, (2012). Reliability of Approximate Methods to Study Tip-Functionalized Single-Wall Carbon Nanotubes. J. Phys. Chem. C, 116, 25401–25406.
        • Scheiner, S.I, upendra, a., (2012). Sensitivity of Pnicogen, Chalcogen, Halogen and H-Bonds to Angular Distortions. Chem. Phys. Lett. , 532, 31-35.
        • Scheiner, S.I, upendra, a., (2012). Substituent Effects on Cl•••N, S•••N, and P•••N Noncovalent Bonds. J. Phys. Chem. A, 116, 3487-3497.
        • Chen, S., Scheiner, S.I, Kar, T., Adhikari, U., (2012). Theoretical study on relationship between structure of mercapto-triazole derivatives and inhibition performance. Int. J. Electrochem. Sci. , 7, 7128-7139.
        • Kar, T., Scheiner, S.I, Roy, A., Bettinger, H., (2012). Unusual Low-Vibrational CO Mode of COOH Can Distinguish between Carboxylated Zigzag and Armchair Single-Wall Carbon Nanotubes. J. Phys. Chem. C, 116, 26072-26083.
        • Scheiner, S.I, Adhikari, U., , (2011). Abilities of Different Electron Donors (D) to Engage in a P∙∙∙D Noncovalent Interaction. J. Phys. Chem. A , 115, 11101 - 11110.
        • Scheiner, S.I, (2011). Can Two Trivalent N Atoms Engage in a Direct N∙∙∙N Noncovalent Interaction?. Chem. Phys. Lett. , 514, 32-35.
        • Scheiner, S.I, Adhikari, U., , (2011). Comparison of P∙∙∙D (D=P,N) with Other Noncovalent Bonds in Molecular Aggregates. J. Chem. Phys. , 135, 184306.
        • Scheiner, S.I, (2011). Effects of Multiple Substitution upon the P∙∙∙N Noncovalent Interaction. Chem. Phys. , 387, 79-84.
        • Scheiner, S.I, (2011). Effects of Substituents upon the P∙∙∙N Noncovalent Interaction: The Limits of Its Strength. J. Phys. Chem. A, 115, 11202-11209.
        • Scheiner, S.I, Adhikari, U., (2011). The S∙∙∙N Noncovalent Interaction: Comparison with Hydrogen and Halogen Bonds. Chem. Phys. Lett, 514, 36-39.
        • Scheiner, S.I, Adhikari, U., , (2011). The S∙∙∙N Noncovalent Interaction: Comparison with Hydrogen and Halogen Bonds. Chem. Phys. Lett., 514, 36-39.

        * Has not been peer reviewed

        Publications - Literary Journal

          * Has not been peer reviewed

          Publications - MultiMedia

            * Has not been peer reviewed

            Publications - Technical Reports

              * Has not been peer reviewed

              Publications - Translations & Transcripts

                Publications - Other

                  Other

                • Scheiner, S.I, (2012). Introduction to Radicals Issue. Int. J. Quantum Chem.

                * Has not been peer reviewed

                Scheduled Teaching

                CHEM 6010 - Quantum Chemistry, Fall 2016

                CHEM 7800 - Seminar, Fall 2016

                CHEM 1210 - Principles of Chemistry I, Spring 2016

                CHEM 5100 - Computational Chemistry, Fall 2015

                CHEM 1210 - Principles of Chemistry I, Spring 2015

                CHEM 6010 - Quantum Chemistry, Fall 2014

                CHEM 3070 - Physical Chemistry, Spring 2014

                CHEM 7800 - Seminar, Spring 2014

                CHEM 7800 - Seminar, Fall 2013

                CHEM 7030 - Special Topics in Physical Chemistry (Topic), Fall 2013

                CHEM 6010 - Quantum Chemistry, Spring 2013

                CHEM 5070 - Biophysical Chemistry, Fall 2012

                CHEM 3070 - Physical Chemistry, Spring 2012

                CHEM 5070 - Biophysical Chemistry, Fall 2011

                CHEM 7970 - DISSERTATION RSRCH, Spring 2011

                CHEM 1210 - PRIN OF CHEMISTRY I, Spring 2011

                CHEM 1210 - RECITATION, Spring 2011

                CHEM 1210 - RECITATION, Spring 2011

                CHEM 1210 - RECITATION, Spring 2011

                CHEM 1210 - RECITATION, Spring 2011

                CHEM 1210 - RECITATION, Spring 2011

                CHEM 1210 - RECITATION, Spring 2011

                CHEM 1210 - RECITATION, Spring 2011

                CHEM 1210 - RECITATION, Spring 2011

                CHEM 5070 - Biophysical Chemistry, Fall 2010


                Graduate Students Mentored

                Binod Nepal, Chemistry & Biochemistry, August 2011
                Vincent Nziko, Chemistry & Biochemistry, August 2011
                Upendra Adhikari, Chemistry & Biochemistry, August 2010 - March 2014