Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.113, No.26 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (63 articles)

7161 - 7162	Preface to the Robert Benny Gerber Festschrift McCoy AB, Krylov AI, Butch V
7163 - 7163	Autobiography of Robert Benny Gerber Gerber RB
7183 - 7188	Mixed Quantum and Forward-Backward Semiclassical Dynamics Bukhman E, Makri N
7189 - 7204	Atmospheric Oxidation Mechanism of 1,2-Dibromoethane Christiansen CJ, Francisco JS
7205 - 7212	Nitrite-Induced Oxidation of Organic Coatings on Models for Airborne Particles Karagulian F, Dilbeck CW, Finlayson-Pitts BJ
7213 - 7217	Self-Assembly of Nanoparticle Arrays on Semiconductor Substrate for Charge Transfer Cascade Gotesman G, Waldeck DH, Naaman R
7218 - 7226	Modeling Reactive Scattering of F(P-2) at a Liquid Squalane Interface: A Hybrid QM/MM Molecular Dynamics Study Radak BK, Yockel S, Kim D, Schatz GC
7227 - 7234	Vibrational Relaxation of Matrix-Isolated Carboxylic Acid Dimers and Monomers Macoas EMS, Myllyperkio P, Kunttu H, Pettersson M
7235 - 7243	Effects of Alkali Cations and Halide Anions on the DOPC Lipid Membrane Vacha R, Siu SWI, Petrov M, Bockmann RA, Barucha-Kraszewska J, Jurkiewicz P, Hof M, Berkowitz ML, Jungwirth P
7244 - 7252	Statistics of Indistinguishable Particles Wittig C
7253 - 7266	Mapping Proton Wires in Proteins: Carbonic Anhydrase and GFP Chromophore Biosynthesis Shinobu A, Agmon N
7267 - 7274	Theoretical Calculation of Separation Factors for Boron Isotopic Exchange between BF3 and BF3 center dot C6H5OCH3 Lin T, Zhang WJ, Wang LC
7275 - 7285	How Do Hydrogen Bonds Break in Small Alcohol Oligomers? Jiang RM, Sibert EL
7286 - 7293	Relation between Surface Tension and Ion Adsorption at the Air-Water Interface: A Molecular Dynamics Simulation Study D'Auria R, Tobias DJ
7294 - 7303	Fundamental and Overtone Vibrational Spectra of Gas-Phase Pyruvic Acid Plath KL, Takahashi K, Skodje RT, Vaida V
7304 - 7313	Vibrational Predissociation Dynamics of He-I-2(B) Mediated by Orbiting Resonances Garcia-Vela A
7314 - 7321	Ab Initio Potential Energy Surfaces for the Ground ((X)over-tilde(1)A') and Excited ((A)over-tilde(1)A'') Electronic States of HGeBr and the Absorption and Emission Spectra of HGeBr/DGeBr Lin S, Xie DQ, Guo H
7322 - 7330	Solvent-Induced Photostability of Acetylene Molecules in Clusters Probed by Multiphoton Dissociation Farnik M, Poterya V, Votava O, Oncak M, Slavicek P, Dauster I, Buck U
7331 - 7337	Photodissociation of H-2(+) upon Exposure to an Intense Pulsed Photonic Fock State Paul AK, Adhikari S, Mukhopadhyay D, Halasz GJ, Vibok A, Baer R, Baerv M
7338 - 7345	NO Bonding to Heme Groups: DFT and Correlated ab Initio Calculations Olah J, Harvey JN
7346 - 7352	Generating Spectra from Ground-State Wave Functions: Unraveling Anharmonic Effects in the OH-center dot H2O Vibrational Predissociation Spectrum McCoy AB, Diken EG, Johnson MA
7353 - 7359	Self-Association of Naphthalene at the Air-Ice Interface Ardura D, Kahan TF, Donaldson DJ
7360 - 7365	Hydrated HCl Clusters, HCl(H2O)(1-3), in Helium Nanodroplets: Studies of Free OH Vibrational Stretching Modes Skvortsov D, Lee SJ, Choi MY, Vilesov AF
7366 - 7375	Joint Experimental-Theoretical Investigation of the Lower Bound States of the NO(X-2 Pi)-Kr Complex Wen B, Meyer H, Klos J, Alexander MH
7376 - 7382	Stability of Polynitrogen Compounds: The Importance of Separating the sigma and pi Electron Systems Noyman M, Zilberg S, Haas Y
7383 - 7393	Ionic Binding of Na+ versus K+ to the Carboxylic Acid Headgroup of Palmitic Acid Monolayers Studied by Vibrational Sum Frequency Generation Spectroscopy Tang CY, Allen HC
7394 - 7402	Effects of Quantum Delocalization on Structural Changes in Lennard-jones Clusters Deckman J, Mandelshtam VA
7403 - 7411	Photodissociation of ICN at the Water/Chloroform Interface Johnson ML, Benjamin I
7412 - 7421	Multiphoton Ionization and Dissociation of Diazirine: A Theoretical and Experimental Study Fedorov I, Koziol L, Mollner AK, Krylov AI, Reisler H
7422 - 7430	Collisions of DCl with a Solution Covered with Hydrophobic and Hydrophilic Ions: Tetrahexylammonium Bromide in Glycerol Brastad SM, Albert DR, Huang MW, Nathanson GM
7431 - 7438	Molecular Dynamics Simulations of Bromine Clathrate Hydrates Schofield DP, Jordan KD
7439 - 7450	Phase Sensitive Control of Vibronic Guest-Host Interaction: Br-2 in Ar Matrix Ibrahim H, Hejjas M, Fushitani M, Schwentner N
7451 - 7460	Cooperative Effects in Molecular Conduction II: The Semiconductor-Metal Molecular Junction Landau A, Nitzan A, Kronik L
7461 - 7473	Kinetics of Helix Unfolding: Molecular Dynamics Simulations with Milestoning Kuczera K, Jas GS, Elber R
7474 - 7481	The Binding of Ag+ and Au+ to Ethene Barnett NJ, Slipchenko LV, Gordon MS
7482 - 7490	Hydroxide Impurity in Ice Cwiklik L, Devlin JP, Buch V
7491 - 7498	Nonadiabatic Quantum Dynamics and Laser Control of Br-2 in Solid Argon Accardi A, Borowski A, Kuhn O
7499 - 7507	Conformational Cooling Dynamics in Matrix-Isolated 1,3-Butanediol Rosado MTS, Jesus AJL, Reva ID, Fausto R, Redinha JS
7508 - 7513	Optical Properties of Metal Tips for Tip-Enhanced Spectroscopies Sukharev M, Seideman T
7514 - 7520	Interaction of Ethyl Chloride with Amorphous Solid Water Thin Film on Ru(001) and O/Ru(001) Surfaces Ayoub Y, Asscher M
7521 - 7527	Deleterious Effects of Long-Range Self-Repulsion on the Density Functional Description of O-2 Sticking on Aluminum Livshits E, Baer R, Kosloff R
7528 - 7534	BlockMaster: Partitioning Protein Kinase Structures Using Normal-Mode Analysis Shudler M, Niv MY
7535 - 7542	Nonadiabatic Molecular Dynamics Simulations of the Energy Transfer between Building Blocks in a Phenylene Ethynylene Dendrimer Fernandez-Alberti S, Kleiman VD, Tretiak S, Roitberg AE
7543 - 7547	NH4+ + CH4 Gas Phase Collisions as a Possible Analogue to Protonated Peptide/Surface Induced Dissociation Barnes GL, Hase WL
7548 - 7555	The Impact of Polyols on Water Structure in Solution: A Computational Study Politi R, Sapir L, Harries D
7556 - 7562	Reduced-Dimensional Quantum Approach to Tunneling Splittings Using Saddle-Point Normal Coordinates Kamarchik E, Wang Y, Bowman J
7563 - 7569	An ab Initio Calculation of the Valence Excitation Spectrum of H2O center dot center dot center dot Cl-2: Comparison to Condensed Phase Spectra Franklin-Mergarejo R, Rubayo-Soneira J, Halberstadt N, Ayed T, Uruchurtu MIB, Hernandez-Lamoneda R, Janda KC
7570 - 7575	Primary Steps in the Reaction of OH Radicals with Amino Acids at Low Temperatures in Laval Nozzle Expansions: Perspectives from Experiment and Theory Liessmann M, Hansmann B, Blachly PG, Francisco JS, Abel B
7576 - 7583	SH-Stretching Vibrational Spectra of Ethanethiol and tert-Butylthiol Miller BJ, Howard DL, Lane JR, Kjaergaard HG, Dunn ME, Vaida V
7584 - 7592	Infrared Spectroscopy of the Microhydrated Nitrate Ions NO3-(H2O)(1-6) Goebbert DJ, Garand E, Wende T, Bergmann R, Meijer G, Asmis KR, Neumark DM
7593 - 7600	Atmospheric Oxidation Mechanism of Hydroxymethyl Hydroperoxide Francisco JS, Eisfeld W
7601 - 7609	Coupled Translation-Rotation Eigenstates of H-2, HD, and D-2 in the Large Cage of Structure II Clathrate Hydrate: Comparison with the Small Cage and Rotational Raman Spectroscopy Xu MZ, Sebastianelli F, Bacic Z
7610 - 7620	Economical Post-CCSD(T) Computational Thermochemistry Protocol and Applications to Some Aromatic Compounds Karton A, Kaminker I, Martin JML
7621 - 7629	The Cl + H-2 -> HCl plus H Reaction Induced by IR plus UV Irradiation of Cl-2 in Solid para-H-2: Experiment Kettwich SC, Raston PL, Anderson DT
7630 - 7646	The Cl + H-2 -> HCl plus H Reaction Induced by IR plus UV Irradiation of Cl-2 in Solid para-H-2: Quantum Model Simulation Korolkov MV, Manz J, Schild A
7647 - 7653	A Stochastic, Local Mode Treatment of High-Energy Gas-Liquid Collisions Packwood DM, Phillips LF
7654 - 7659	HArF in Solid Argon Revisited: Transition from Unstable to Stable Configuration Bochenkova AV, Bochenkov VE, Khriachtchev L
7660 - 7666	Feshbach Resonances: The Branching of Quantum Mechanics into Hermitian and Non-Hermitian Formalisms Moiseyev N
7667 - 7670	Multiple Solutions in the Tracking Control of Quantum Systems Jha A, Beltrani V, Rosenthal C, Rabitz H
7671 - 7677	Calculation of the Vibrational Spectra of H5O2+ and Its Deuterium-Substituted Isotopologues by Molecular Dynamics Simulations Kaledin M, Kaledin AL, Bowman JM, Ding J, Jordan KD
7678 - 7686	Hygroscopic Growth and Deliquescence of NaCl Nanoparticles Coated with Surfactant AOT Alshawa A, Dopfer O, Harmon CW, Nizkorodov SA, Underwood JS
7687 - 7697	Atomic Spectral-Product Representations of Molecular Electronic Structure: Metric Matrices and Atomic-Product Composition of Molecular Eigenfunctions Ben-Nun M, Mills JD, Hinde RJ, Winstead CL, Boatz JA, Gallup GA, Langhoff PW
7698 - 7705	The Heisenberg-Weyl Algebra on the Circle and a Related Quantum Mechanical Model for Hindered Rotation Kouri DJ, Markovich T, Maxwell N, Bodmann BG