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2014

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Competition between Lone Pair-π, Halogen Bond, and Hydrogen Bond in Adducts of Water with Perhalogenated Alkenes C2ClnF4-n (n = 0-4), U. Adhikari and Steve Scheiner; Chem. Phys.

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Effects of Charge and Substituent on the S∙∙∙N Chalcogen Bond, U. Adhikari and Steve Scheiner; J. Phys. Chem.

Do phenolic and carboxylic groups coexist at the tips of oxidized single-wall carbon nanotubes (o-SWNTs)?, U. Adhikari, Steve Scheiner, A. K. Roy, and T. Kar; Carbon

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An Exploration of the Ozone Dimer Potential Energy Surface, L. M. Azofra, I. Alkorta, and Steve Scheiner; J. Chem. Phys.

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Strongly Bound Noncovalent (SO3)n:H2CO Complexes (n = 1, 2), L. M. Azofra, I. Alkorta, and Steve Scheiner; Phys. Chem. Chem. Phys.

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Complexation of n SO2 Molecules (n=1,2,3) with Formaldehyde and Thioformaldehyde, L. M. Azofra and Steve Scheiner; J. Chem. Phys.

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Complexes Containing CO2 and SO2. Mixed Dimers, Trimers and Tetramers, L. M. Azofra and Steve Scheiner; Phys. Chem. Chem. Phys.

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Substituent Effects in the Noncovalent Bonding of SO2 to Molecules containing a Carbonyl Group. The Dominating Role of the Chalcogen Bond, L. M. Azofra and Steve Scheiner; J. Phys. Chem.

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Less Cookbook and More Research! Synthetic Efforts Toward JBIR-94 and JBIR-125: a Student-Designed Research Project in a Sophomore Organic Chemistry Lab, Mike A. Christiansen, C. L. Crawford, and C. D. Mangum; The Chemical Educator

Manipulating Unconventional CH-based Hydrogen Bonding in a Methyltransferase via Unnatural Amino Acid Mutagenesis, S. Horowitz, U. Adhikari, L. Dirk, P. A. Del Rizzo, R. A. Mehl, R. L. Houtz, H. M. Al-Hashimi, Steve Scheiner, and R. C. Trievel; ACS Chemical Biology

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Interaction between Temozolomide and Water: Preferred Binding Sites, O. E. Kasende, A. Matondo, M. Muzomwe, J. T. Muya, and Steve Scheiner; Comp. Theor. Chem.

2013

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Understanding precision nitrogen stress to optimize the growth and lipid content tradeoff in oleaginous green microalgae, Curtis Adams, Valerie Godfrey, Bruce Bugbee, Brad Wahlen, and Lance Seefeldt; Bioresource Technology

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The Magnitude and Mechanism of Charge Enhancement of CH∙∙O H-bonds, U. Adhikari and Steve Scheiner; J. Phys. Chem.

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An Electrolysis Experiment for a Middle School Summer Science Camp, Mike A. Christiansen, Leslie Jessup, and Kevin D. Woodward; An Electrolysis Experiment for a Middle School Summer Science Camp

Conservation and Functional Importance of Carbon-Oxygen Hydrogen Bonding in AdoMet-dependent Methyltransferases, S. Horowitz, L. M. A. Dirk, J. D. Yesselman, J. S. Nimtz, U. Adhikari, R. A. Mehl, Steve Scheiner, R. L. Houtz, H. M. Al-Hashimi, and R. C. Trievel; J. Am. Chem. Soc.

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Investigation of Antibacterial Mode of Action for Traditional and Amphiphilic Aminoglycosides, Venkatareddy Udumula, Young Wan Ham, Marina Y. Fosso, Ka Yee Chan, Ravi Rai, Jianjun Zhang, Jie Li, and Cheng-Wei Tom Chang; Bioorganic & Medicinal Chemistry Letters

2012

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Contributions of Various Noncovalent Bonds to the Interaction between an Amide and S-Containing Molecules, U. Adhikari and Steve Scheiner; ChemPhysChem

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Effects of Carbon Chain Substituent on the P∙∙∙N Noncovalent Bond, U. Adhikari and Steve Scheiner; Chem. Phys. Lett.

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First Steps in Growth of a Polypeptide Toward β-Sheet Structure, U. Adhikari and Steve Scheiner; J. Phys. Chem.

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Preferred Configurations of Peptide-Peptide Interactions, U. Adhikari and Steve Scheiner; J. Phys. Chem.

Sensitivity of Pnicogen, Chalcogen, Halogen and H-Bonds to Angular Distortions, U. Adhikari and Steve Scheiner; Chem. Phys. Lett.

Substituent Effects on Cl∙∙∙N, S∙∙∙N, and P∙∙∙N Noncovalent Bonds, U. Adhikari and Steve Scheiner; J. Phys. Chem.

A 3‐dimensional time‐resolved photothermal deflection “Mirage” method, N. G.C. Astrath, L. C. Malacarne, G. V.B. Lukasievicz, H. S. Bernabe, J. H. Rohling, M. L. Baesso, J. Shen, and Stephen E. Bialkowski; Applied Physics Letters

A 3‐dimensional time‐resolved photothermal deflection “Mirage” method, N. G.C. Astrath, L. C. Malacarne, G. V.B. Lukasievicz, H. S. Bernabe, J. H. Rohling, M. L. Baesso, J. Shen, and Stephen E. Bialkowski; Applied Physics Letters

The molecular details of WPD-loop movement differ in the protein-tyrosine phosphatases YopH and PTP1B, Tiago A.S. Brandão, Alvan C. Hengge, and Sean J. Johnson; Archives of Biochemistry and Biophysics

Theoretical study on relationship between structure of mercapto-triazole derivatives and inhibition performance, S. Chen, Steve Scheiner, T. Kar, and U. Adhikari; Int. J. Electrochem. Sci.

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BOTPPI, a New Wittig Salt Used in the Synthesis of 12-(S)-Hydroxy-Eicosatetraenoic Acid [12-(S)-HETE], M. A. Christiansen and M. B. Andrus; Tetrahedron Lett.

Can a C-H∙∙∙O interaction be a determinant of conformation?, C. R. Jones, P. K. Baruah, A. L. Thompson, Steve Scheiner, and M. D. Smith; J. Am. Chem. Soc.

Reliability of Approximate Methods to Study Tip-Functionalized Single-Wall Carbon Nanotubes, Tapas Kar and Steve Scheiner; J. Phys. Chem.

Site Preferences of Carboxyl Groups on the Periphery of Graphene and their Characteristic IR Spectra, Tapas Kar, Steve Scheiner, U. Adhikari, and Ajit K. Roy; J. Phys. Chem.

Unusual Low-Vibrational C=O Mode of COOH Can Distinguish between Carboxylated Zigzag and Armchair Single-Wall Carbon Nanotubes, Tapas Kar, Steve Scheiner, Ajit K. Roy, and Holger F. Bettinger; J. Phys. Chem.

A Theoretical and Experimental Study of Time‐Resolved Thermal Mirror with Non‐Absorbing Heat Coupling Fluids , Gustavo V.B. Lukasievicz, Luis C. Malacarne, Nelson G.C. Astrath, Vitor S. Zanuto, Leandro S. Herculano, and Stephen E. Bialkowski; Applied Spectroscopy

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Detailed Comparison of the Pnicogen Bond with Chalcogen, Halogen and Hydrogen Bonds, Steve Scheiner; Int. J. Quantum Chem.

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Evaluation of DFT Methods to Study Reactions of Benzene with OH Radical, Steve Scheiner; Int. J. Quantum Chem.

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Extrapolation to the Complete Basis Set Limit for Binding Energies of Noncovalent Interactions, Steve Scheiner; Comput. Theor. Chem.

Introduction to Radicals Issue, Steve Scheiner; Int. J. Quantum Chem.

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Sensitivity of Noncovalent Bonds to Intermolecular Separation: Hydrogen, Halogen, Chalcogen, and Pnicogen Bonds, Steve Scheiner; Cryst. Eng. Comm.

The Pnicogen Bond: Its Relation to Hydrogen, Halogen, and Other Noncovalent Bonds, Steve Scheiner; Acc. Chem. Res.

2011

Comparison of P∙∙∙D (D=P,N) with Other Noncovalent Bonds in Molecular Aggregates, U. Adhikari and Steve Scheiner; J. Chem. Phys.

The S∙∙∙N Noncovalent Interaction: Comparison with Hydrogen and Halogen Bonds, U. Adhikari and Steve Scheiner; Chem. Phys. Lett.

Definition of the Hydrogen Bond: An Account, E. Arunan, G. R. Desiraju, R. A. Klein, J. Sadlej, Steve Scheliner, I. Alkorta, D. C. Clary, R. H. Crabtree, J. J. Dannenberg, P. Hobza, H. G. Kjaergaard, A. C. Legon, B. Mennucci, and D. J. Nesbitt; Pure and Applied Chemistry

Definition of the Hydrogen Bond, IUPAC Recommendations, E. Arunan, G. R. Desiraju, R. A. Klein, J. Sadlej, Steve Scheliner, I. Alkorta, D. C. Clary, R. H. Crabtree, J. J. Dannenberg, P. Hobza, H. G. Kjaergaard, A. C. Legon, B. Mennucci, and D. J. Nesbitt; Pure and Applied Chemistry

Synthesis of Substrates to Probe the Biochemistry of the Ecteinascidin 743 (ET-743) Biosynthetic Gene Cluster, M. A. Christiansen, A. Jimenez-Somarribas, C. M. Rath, R. M. Williams, and D. H. Sherman; Organic & Biomolecular Chemistry

A Compact Pulsed Infrared Laser Excited Photothermal Deflection Spectrometer, Oluwatosin O. Dada and Stephen E. Bialkowski; Applied Spectroscopy

A Compact Pulsed Infrared Laser Excited Photothermal Deflection Spectrometer, Oluwatosin O. Dada and Stephen E. Bialkowski; Applied Spectroscopy

Time‐Resolved Thermal Lens and Thermal Mirror Spectroscopies with Sample‐Fluid Heat Coupling: A Complete Model for Material Characterization, Luis C. Malacarne, Nelson G.C. Astrath, Gustavo V.B. Lukasievicz, Ervin K. Lenzi, Mauro L. Baesso, and Stephen E. Bialkowski; Applied Spectroscopy

Time‐Resolved Thermal Lens and Thermal Mirror Spectroscopies with Sample‐Fluid Heat Coupling: A Complete Model for Material Characterization, Luis C. Malacarne, Nelson G.C. Astrath, Gustavo V.B. Lukasievicz, Ervin K. Lenzi, Mauro L. Baesso, and Stephen E. Bialkowski; Applied Spectroscopy

Meta-omic characterization of the marine invertebrate microbial consortium that produces the chemotherapeutic natural product ET-743, C. M. Rath, B. Janto, J. Earl, A. Ahmed, F. A. Hu, L. Hiller, M. Dahlgren, R. Kreft, F. Yu, J. J. Wolff, H. K. Kweon, M. A. Christiansen, K. Hakansson, R. M. Williams, G. D. Ehrlich, and D. H. Sherman; ACS Chemical Biology

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A New Noncovalent Force: Comparison of P∙∙∙N Interaction with Hydrogen and Halogen Bonds, Steve Scheiner; J. Chem. Phys.

Can Two Trivalent N Atoms Engage in a Direct N∙∙∙N Noncovalent Interaction?, Steve Scheiner; Chem. Phys. Lett.

Effects of Multiple Substitution upon the P∙∙∙N Noncovalent Interaction, Steve Scheiner; Chem. Phys.

Effects of Substituents upon the P∙∙∙N Noncovalent Interaction: The Limits of Its Strength, Steve Scheiner; J. Phys. Chem.

On the Properties of X∙∙∙N Noncovalent Interactions for First-, Second- and Third-Row X Atoms, Steve Scheiner; J. Chem. Phys.

Weak H-bonds. Comparisons of CH∙∙∙O to NH∙∙∙O in Proteins and PH∙∙∙N to Direct P∙∙∙N Interactions, Steve Scheiner; Phys. Chem. Chem. Phys.

Abilities of Different Electron Donors (D) to Engage in a P∙∙∙D Noncovalent Interaction, Steve Scheiner and U. Adhikari; J. Phys. Chem.

Insights into the Phosphoryl Transfer Mechanism of Cyclin-Dependent Protein Kinases from ab Initio QM/MM Free-Energy Studies, Gregory K. Smith, Zhihong Ke, Hua Guo, and Alvan C. Hengge; Journal of Physical Chemistry B

Unconventional H-Bonds: SH∙∙∙N Interaction, M. Solimannejad and Steve Scheiner; Int. J. Quantum Chem.

2010

Definition of the Hydrogen Bond, E. Arunan, G. R. Desiraju, R. A. Klein, J. Sadlej, Steve Scheiner, I. Alkorta, D. C. Clary, R. H. Crabtree, J. J. Duannenberg, P. Hobza, H. G. Kiaergaard, A. C. Legon, B. Mennucci, and D. J. Nesbitt

Pulsed‐Laser Excited Thermal Lens Spectroscopy With Sample‐Fluid Heat Coupling, G. C. Astrath, Luis C. Malacarne, Paulo R.B. Pedreira, Marcos P. Belancon, Mauro L. Baesso, Prakash R. Joshi, and Stephen E. Bialkowski; Journal of Applied Physics

Pulsed‐Laser Excited Thermal Lens Spectroscopy With Sample‐Fluid Heat Coupling, G. C. Astrath, Luis C. Malacarne, Paulo R.B. Pedreira, Marcos P. Belancon, Mauro L. Baesso, Prakash R. Joshi, and Stephen E. Bialkowski; Journal of Applied Physics

Phosphoryl and Sulfuryl Transfer, Tiago A.S. Brandão and Alvan C. Hengge; Comprehensive Natural Products II: Chemistry and Biology

Insights into the Reaction of Proteintyrosine Phosphatase 1B: Crystal Structures for Transition State Analogs of Both Catalytic Steps, Tiago A.S. Brandão, Alvan C. Hengge, and Sean J. Johnson; Journal of Biological Chemistry

Pulsed Laser Excited Photothermal Lens Spectrometry of Cadmium Sulfoselenide Doped Silica Glasses, Prakash R. Joshi, Oluwatosin Dada, and Stephen E. Bialkowski; Journal of Physics: Conference Series

Pulsed Laser Excited Photothermal Lens Spectrometry of Cadmium Sulfoselenide Doped Silica Glasses, Prakash R. Joshi, Oluwatosin Dada, and Stephen E. Bialkowski; Journal of Physics: Conference Series

IR Characterization of Tip-Functionalized Single-Wall Carbon Nanotubes , T. Kar, S. Patnaik, H. Bettinger, A. Roy, and Steve Scheiner; J. Phys. Chem.

Analytical Solution for Mode‐Mismatched Thermal Lens Spectroscopy with Sample‐Fluid Heat Coupling, Luis C. Malacarne, Nelson G.C. Astrath, Paulo R.B. Pedreira, Renio S. Mendes, Mauro L. Baesso, Prakash R. Joshi, and Stephen E. Bialkowski; Journal of Applied Physics

Analytical Solution for Mode‐Mismatched Thermal Lens Spectroscopy with Sample‐Fluid Heat Coupling, Luis C. Malacarne, Nelson G.C. Astrath, Paulo R.B. Pedreira, Renio S. Mendes, Mauro L. Baesso, Prakash R. Joshi, and Stephen E. Bialkowski; Journal of Applied Physics

The Divalent Metal Ion in the Active Site of Uteroferrin Modulates Substrate Binding and Catalysis, Natasa Mitic, Kieran S. Hadler, Lawrence R. Gahan, Alvan C. Hengge, and Gerhard Schenk; Journal of the American Chemical Society

Cooperativity of Multiple H-Bonds in Influencing Structural and Spectroscopic Features of the Peptide Unit of Proteins, Steve Scheiner; Journal of Molecular Structure

Effect of CH∙∙O Hydrogen Bond Length on the Geometric and Spectroscopic Features of the Peptide Unit of Proteins, Steve Scheiner; Int. J. Quantum Chem.

MacMillan Encyclopedia of Chemistry, Steve Scheiner

Review of: The Nature of the Hydrogen Bond, by G. Gilli and P. Gilli, Steve Scheiner; International Journal of Quantum Chemistry

Theoretical Analysis of the Contributions Made by CH∙∙O H-bonds to Protein Structure, Steve Scheiner

Analysis of the Reactivities of Protein C-H Bonds to H Atom Abstraction by OH Radical , Steve Scheiner and T. Kar; J. Am. Chem. Soc.

SH···N and SH···P Blue-Shifting H-Bonds and N···P Interactions in Complexes Pairing HSN with Amines and Phosphines, M. Solimannejad, M. Gharabaghi, and Steve Scheiner; J. Chem. Phys.

Unconventional H-bonds: SH∙∙∙N Interaction, M. Solimannejad and Steve Scheiner; International Journal of Quantum Chemistry

2009

Phase-Transfer Catalyzed Asymmetric Arylacetate Alkylation, M. B. Andrus, K. C. Harper, M. A. Christiansen, and M. A. Binkley; Synfacts

Phase-Transfer Catalyzed Asymmetric Arylacetate Alkylation, M. B. Andrus, K. C. Harper, M. A. Christiansen, and M. A. Binkley; Tetrahedron Letters

Impaired acid catalysis by mutation of a protein loop hinge residue in a YopH mutant revealed by crystal structures, T. A.S. Brandão, H. Robinson, S. J. Johnson, and Alvan C. Hengge; Journal of the American Chemical Society

Synthesis of Kurasoin B Using Phase-Transfer-Catalyzed Acylimidazole Alkylation, M. A. Christiansen, A. W. Butler, A. R. Hill, and M. B. Andrus; Synlett

Mechanism and Transition State Structure of Aryl Methylphosphonate Esters Doubly Coordinated to a Dinuclear Cobalt(III) Center, Guoqiang Feng, Eric A. Tanifum, Harry Adams, Alvan C. Hengge, and Nicholas H. Williams; Journal of the American Chemical Society

The Heat Capacities and Standard Entropies of Corresponding Potassium and Ammonium Ion Species: Is There a Constant Difference?, H. D. B. Jenkins, J. F. Liebman, M. Ponkivar, and Steve Scheiner; Structural Chemistry

Pulsed‐Laser Excited Photothermal Study of Cadmium Sulfoselenium Nanoparticle Doped Glasses, Prakash R. Joshi, Oluwatosin Dada, and Stephen E. Bialkowski; Applied Spectroscopy

Pulsed‐Laser Excited Photothermal Study of Cadmium Sulfoselenium Nanoparticle Doped Glasses, Prakash R. Joshi, Oluwatosin Dada, and Stephen E. Bialkowski; Applied Spectroscopy

Antiproliferative and Protein Kinase Binding Activities of Some N6,5'-Bis-ureido 5'-Amino-5'-deoxyadenosine Derivatives, M. A. Peterson, M. Oliveira, and M. A. Christiansen; Nucleosides, Nucleotides and Nucleic Acids

Preliminary SAR Analysis of Novel Antiproliferative N6,5ˈ-Bis-Ureidoadenosine Derivatives, M. A. Peterson, M. Oliveira, M. A. Christiansen, and C. E. Cutler; Bioorganic & Medicinal Chemistry Letters

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Identification of Spectroscopic Patterns of CH···O H-Bonds in Proteins, Steve Scheiner; Journal of Physical Chemistry B

Ingredients Necessary for Proton Transfer in Enzymes, Steve Scheiner; Israel Journal of Chemistry

Quantum Chemical Analysis of the Energetics of the anti- and gauche- Conformers of Ethanol, Steve Scheiner and P. G. Seybold; Structural Chemistry

Active-Site Dynamics of SpvC Virulence Factor from Salmonella typhimurium and Density Functional Theory Study of Phosphothreonine Lyase Catalysis, Gregory K. Smith, Zhihong Ke, Alvan C. Hengge, Dingguo Xu, Daiqian Xie, and Hua Guo; Journal of Physical Chemistry

Existence and Characterization of HOO-HOOOH Radical-Molecule Complexes: A Computational Study, M. Solimannejad, S. Massahi, and Steve Scheiner; Journal of Molecular Structure: TheoChem

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Nature of Interactions in Open-Shell Complexes Pairing H2X with HXX, X=S,O, Mohammad Solimannejad and Steve Scheiner; Molecular Physics

2008

Development of Infrared Photothermal Deflection Spectroscopy (Mirage Effect) for Analysis of Condensed‐phase Aerosols Collected in a Micro‐Orifice Uniform Deposit Impactor, Oluwatosin Dada and Stephen E. Bialkowski; Applied Spectroscopy

Development of Infrared Photothermal Deflection Spectroscopy (Mirage Effect) for Analysis of Condensed‐phase Aerosols Collected in a Micro‐Orifice Uniform Deposit Impactor, Oluwatosin Dada and Stephen E. Bialkowski; Applied Spectroscopy

Finite Element Analysis Modeling of Pulse‐Laser Excited Photothermal Deflection (Mirage Effect) from Aerosols, Oluwatosin Dada and Stephen E. Bialkowski; Applied Spectroscopy

Finite Element Analysis Modeling of Pulse‐Laser Excited Photothermal Deflection (Mirage Effect) from Aerosols, Oluwatosin Dada and Stephen E. Bialkowski; Applied Spectroscopy

Substrate-Promoted Formation of a Catalytically Competent Binuclear Center and Regulation of Reactivity in a Glycerophosphodiesterase from Enterobacter aerogenes, K. S. Hadler, E. A. Tanifum, S. H.C. Yip, N. Mitic, L. W. Guddat, C. J. Jackson, L. R. Gahan, K. Nguyen, P. D. Carr, D. L. Ollis, Alvan C. Hengge, J. A. Larrabee, and g. Schenk; Journal of the American Chemical Society

An Altered Transition State for the Reaction of an RNA Model Catalyzed by a Dinuclear Zinc(II) Catalyst, T. Humphry, S. Iyer, O. Iranzo, J. R. Morrow, J. P. Richard, Piotr Paneth, and Alvan C. Hengge; Journal of the American Chemical Society

The Effects of Sulfur Substitution for the Nucleophile and Bridging Oxygen Atoms in Reactions of Hydroxyalkyl Phosphate Esters, Subashree Iyer and Alvan C. Hengge; Journal of Organic Chemistry

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Noncovalent π−π Stacking and CH---π Interactions of Aromatics on the Surface of Single-Wall Carbon Nanotubes: An MP2 Study, T. Kar, H. Bettinger, Steve Scheiner, and A. K. Roy; Journal of Physical Chemistry C