Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.111, No.49 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (88 articles)

12163 - 12165	It's all a matter of intermolecular forces - A tribute to Giacinto Scoles Buck U, Lehmann KK, Liu GY
12166 - 12180	Autobiography of Giacinto Scoles Scoles G
12181 - 12191	Connecting structure to infrared spectra of molecular and autodissociated HCl - Water aggregates Masia M, Forbert H, Marx D
12192 - 12199	Observation of rovibrational transitions of HCl, (HCl)(2), and H2O-HCl in liquid helium nanodroplets Ordlieb M, Birer O, Letzner M, Schwaab GW, Havenith M
12200 - 12209	Electronic spectroscopy of nonalternant hydrocarbons inside helium nanodrople Birer O, Moreschini P, Lehmann KK, Scoles G
12210 - 12215	Millisecond kinetics of nanocrystal cation exchange using microfluidic X-ray absorption spectroscopy Chan EM, Marcus MA, Fakra S, ElNaggar M, Mathies RA, Alivisatos AP
12216 - 12228	Angular distributions for vibrationally inelastic nonresonant scattering of electrons by molecules Carsky P, Curik R, Pezler B, Michl J
12229 - 12237	Gold nanoparticles decorated with oligo(ethylene glycol) thiols: Protein resistance and colloidal stability Zhang F, Skoda MWA, Jacobs RMJ, Zorn S, Martin RA, Martin CM, Clark GF, Goerigk G, Schreiber F
12238 - 12247	Higher energy states in the CO dimer: Millimeter-wave spectra and rovibrational calculations Surin LA, Fourzikov DN, Giesen TF, Schlemmer S, Winnewisser G, Panfilov VA, Dumesh BS, Vissers GWM, van der Avoird A
12248 - 12256	Excess electron in water at different thermodynamic conditions Boero M
12257 - 12259	Self-directed growth of contiguous perpendicular molecular lines on H-Si(100) surfaces Zikovsky J, Dogel SA, Haider AB, DiLabio GA, Wolkow RA
12260 - 12265	Infrared spectra and theoretical calculations of KH and (KH)(2) in solid hydrogen Wang XF, Andrews L
12266 - 12274	Studies of chemisorbed tetracene on Si(111)-7x7 Yong KS, Zhang YP, Yang SW, Wu P, Xu GQ
12275 - 12288	Rotational structure of small He-4 clusters seeded with HF, HCl, and HBr molecules Ramilowski JA, Mikosz AA, Farrelly D, Fajin JLC, Fernandez B
12289 - 12294	Microsolvation of cationic dimers in He-4 droplets: Geometries of A(2)(+)(He)(N) (A = Li, Na, K) from optimized energies Marinetti F, Uranga-Pinia LI, Coccia E, Lopez-Duran D, Bodo E, Gianturco FA
12295 - 12303	A case study on biological activity in a surface-bound multicomponent system: The biotin-streptavidin-peroxidase system Chelmowski R, Prekelt A, Grunwald C, Woll C
12304 - 12316	Infrared spectroscopy of prereactive aluminum-, gallium-, and indium-HCN entrance channel complexes solvated in helium nanodroplets Merritt JM, Douberly GE, Stiles PL, Miller RE
12317 - 12326	A computational study of the adsorption of small Ag and Au nanoclusters on graphite Jalkanen JP, Halonen M, Fernandez-Torre D, Laasonen K, Halonen L
12327 - 12332	Large-scale motions and electrostatic properties of furin and HIV-1 protease Carnevale V, Raugei S, Micheletti C, Carloni P
12333 - 12338	Organophosphonate self-assembled monolayers for gate dielectric surface modification of pentacene-based organic thin-film transistors: A comparative study McDermott JE, McDowell M, Hill IG, Hwang J, Kahn A, Bernasek SL, Schwartz J
12339 - 12343	Effect of formation temperature and roughness on surface potential of octadecyltrichlorosilane self-assembled monolayer on silicon surfaces Bush BG, DelRio FW, Opatkiewiez J, Maboudian R, Carraro C
12344 - 12348	Configuration and internal dynamics of CH2ClF...krypton Ottaviani P, Velino B, Caminati W
12349 - 12354	Atomistic simulation of the DNA helix-coil transition Piana S
12355 - 12362	Infrared spectroscopy of small sodium-doped water clusters: Interaction with the solvated electron Buck U, Dauster I, Gao B, Liu ZF
12363 - 12371	Isotopomeric conformational changes in the anisole-water complex: New insights from HR-UV spectroscopy and theoretical studies Pasquini M, Schiccheri N, Piani G, Pietraperzia G, Becucci M, Biczysko M, Pavone M, Barone V
12372 - 12380	Specific binding of different vesicle populations by the hybridization of membrane-anchored DNA Beales PA, Vanderlick TK
12381 - 12385	Influence of end group and surface structure on the current-voltage characteristics of alkanethiol monolayers on Au(111) Wang JG, Selloni A
12386 - 12397	Optical spectroscopy of potassium-doped argon clusters. Experiments and quantum-chemistry calculations Nagl J, Hauser AW, Aubock G, Callegari C, Ernst WE
12398 - 12401	O atom induced gradual deconstruction of the 23 x root 13 Au(111) surface Gibson KD, Sibener SJ
12402 - 12408	Tandem repeating modular proteins avoid aggregation in single molecule force spectroscopy experiments Dougan L, Fernandez JM
12409 - 12416	Modeling competitive interactions in proteins: Vibrational spectroscopy of M+(n-methylacetamide)(1)(H2O)(n)(=0-3), M = Na and K, in the 3 mu m region Miller DJ, Lisy JM
12417 - 12422	Determining the partial photoionization cross-sections of ethyl radicals FitzPatrick BL, Maienschein-Cline M, Butler LJ, Lee SH, Lin JJ
12423 - 12426	Density dependent friction of lipid monolayers Goertz MP, Stottrup BL, Houston JE, Zhu XY
12427 - 12433	Low-energy electron-induced processes in fluorinated copper phthalocyanine films observed by F- desorption: Why so little damage Menzel D, Cloutier P, Sanche L, Madey TE
12434 - 12438	Density functional theory analysis of molybdenum isotope fractionation Weeks CL, Anbar AD, Wasylenki LE, Spiro TG
12439 - 12446	Interaction thresholds for adsorption of quantum gases on surfaces and within pores of various shapes Kim HY, Gatica SM, Cole MW
12447 - 12453	Partition theory: A very simple illustration Cohen MH, Wasserman A, Burke K
12454 - 12457	Electronic states of a single layer of pentacene: Standing-up and flat-lying configurations Betti MG, Kanjilal A, Mariani C
12458 - 12465	Advanced correlation functionals: Application to bulk materials and localized systems Garcia-Gonzalez P, Fernandez JJ, Marini A, Rubio A
12466 - 12470	Vibrational spectroscopy and dynamics in the CH-stretch region of fluorene by IVR-assisted, ionization-gain stimulated Raman Spectroscopy Kim T, Felker PM
12471 - 12476	Static dipole polarizability of ytterbium Zhang P, Dalgarno A
12477 - 12486	Fragmentation dynamics of size-selected pyrrole clusters prepared by electron impact ionization: Forming a solvated dimer ion core Profant V, Poterya V, Farnik M, Slavicek P, Buck U
12487 - 12494	Electron-atom superelastic scattering in magnesium at millielectron volt energies Baynard T, Reber AC, Niedziela RF, Darveau SA, Prutzman B, Berry RS
12495 - 12505	Ground state potential energy curve and dissociation energy of MgH Shayesteh A, Henderson RDE, Le Roy RJ, Bernath PF
12506 - 12512	Incorporation of inhomogeneous ion diffusion coefficients into kinetic lattice grand canonical Monte Carlo simulations and application to ion current calculations in a simple model ion channel Hwang H, Schatz GC, Ratner MA
12513 - 12523	New insights into the reaction mechanisms of phenylium ions with benzene Ascenzi D, Cont N, Guella G, Franceschi P, Tosi P
12524 - 12533	Temperature-dependent femtosecond photoinduced desorption in CO/Pd(111) Szymanski P, Harris AL, Camillone N
12534 - 12537	Contrasting singlet-triplet dynamical behavior of two vibrational levels of the acetylene S-1, 2(1)3(1)B(2) polyad Virgo WL, Bittinger KL, Steeves AH, Field RW
12538 - 12549	On the role of scattering resonances in the F+HD reaction dynamics De Fazio D, Cavalli S, Aquilanti V, Buchachenko AA, Tscherbul TV
12550 - 12558	Polymorphism and phase control in titanyl phthalocyanine thin films grown by supersonic molecular beam deposition Coppede N, Toccoli T, Pallaoro A, Siviero F, Walzer K, Castriota M, Cazzanelli E, Iannotta S
12559 - 12563	Monosolvation of R-1-phenyl-2,2,2-trifluoroethanol with amines: Configurational effects on the excitation, ionization, and fragmentation of diastereomeric complexes Giardini A, Cattenacci G, Paladini A, Piccirillo S, Satta M, Rondino F, Speranza M
12564 - 12569	An optimized algebraic basis for molecular potentials Bordoni A, Manini N
12570 - 12576	Structure, vibrations and Raman modes in electron doped metal phthalocyanines Tobik J, Tosatti E
12577 - 12583	Concentration-temperature dependencies of structural relaxation time in trehalose-water solutions by Brillouin inelastic UV scattering Di Fonzo S, Masciovecchio C, Bencivenga F, Gessini A, Fioretto D, Comez L, Morresi A, Gallina ME, De Giacomo O, Cesaro A
12584 - 12588	Dynamics of water confined on a TiO2 (Anatase) surface Levchenko AA, Kolesnikov AI, Ross NL, Boerio-Goates J, Woodfield BF, Li GS, Navrotsky A
12589 - 12603	Hydrogen and coordination bonding supramolecular structures of trimesic acid on Cu(110) Classen T, Lingenfelder M, Wang Y, Chopra R, Virojanadara C, Starke U, Costantini G, Fratesi G, Fabris S, de Gironcoli S, Baroni S, Haq S, Raval R, Kern K
12604 - 12610	Quantum study of peroxidic bonds and torsional levels for ROOR' molecules (R, R' = H, F, Cl, NO, CN) Maciel GS, Bitencourt ACP, Ragni M, Aquilanti V
12611 - 12619	Analysis of molecular hydrogen formation on low-temperature surfaces in temperature programmed desorption experiments Vidali G, Pirronello V, Li L, Roser J, Manico G, Congiu E, Mehl H, Lederhendler A, Perets HB, Brucato JR, Biham O
12620 - 12628	Direct images of the virtual source in a supersonic expansion Reisinger T, Bracco G, Rehbein S, Schmahl G, Ernst WE, Holst B
12629 - 12634	In situ photolysis of CD3I in solid orthodeuterium Fushitani M, Miyamoto Y, Hoshina H, Momose T
12635 - 12640	Determining the energy gap between the cis and trans isomers of HO3-using geometry optimization within the anti-hermitian contracted schrodinger and coupled cluster methods Mazziotti DA
12641 - 12650	Kinetic and mechanistic studies of the electrocatalytic reduction of O-2 to H2O with mononuclear Cu complexes of substituted 1,10-phenanthrolines McCrory CCL, Ottenwaelder X, Stack TDP, Chidsey CED
12651 - 12658	Method for efficient computation of the density of states in water-explicit biopolymer simulations on a lattice Patel BA, Debenedetti PG, Stillinger FH
12659 - 12668	High-resolution continuous-wave-diode laser cavity ring-down spectroscopy of the hydrogen fluoride dimer in a pulsed slit jet expansion: Two components of the N=2 triad near 1.3 mu m Hippler M, Oeltjen L, Quack M
12669 - 12673	Dispersion of single-walled carbon nanotubes with an extended diazapentacene derivative Mateo-Alonso A, Ehli C, Chen KH, Guldi DM, Prato M
12674 - 12678	Molecular assembly of rubrene on a metal/metal oxide nanotemplate Cicoira F, Miwa JA, Perepichka DF, Rosei F
12679 - 12683	State-resolved reactivity of CH4(2 nu(3)) on Pt(111) and Ni(111): Effects of barrier height and transition state location Bisson R, Sacchi M, Dang TT, Yoder B, Maroni P, Beck RD
12684 - 12694	Unraveling the absorption spectra of alkali metal atoms attached to helium nanodroplets Bunermann O, Droppelmann G, Hernando A, Mayol R, Stienkemeier F
12695 - 12701	Squeezing a helium nanodroplet with a Rydberg electron Ancilotto F, Pi M, Mayol R, Barranco M, Lehmann KK
12702 - 12710	Double-trap kinetic equation for the oxygen reduction reaction on Pt(111) in acidic media Wang JX, Zhang JL, Adzic RR
12711 - 12716	Study of HCl clusters in helium nanodroplets: Experiments and ab initio calculations as stepping stones from gas phase to bulk Skvortsov D, Choi MY, Vilesov AF
12717 - 12720	2-D islanding of dodecane on an Au(111) surface: An investigation using he beam reflectivity and Monte Carlo Modeling Arlen TC, Webster CJD, Schwartz PV
12721 - 12726	Deciphering structural domains of alkanethiol self-assembled configurations by friction force microscopy Munuera C, Barrena E, Ocal C
12727 - 12739	Structural characterization of aldehyde-terminated self-assembled monolayers Riposan A, Li Y, Tan YH, Galli G, Liu GY
12740 - 12748	Structure and energetics of diphenylalanine self-assembling on Cu(110) Tomba G, Lingenfelder M, Costantini G, Kern K, Klappenberger F, Barth JV, Ciacchi LC, De Vita A
12749 - 12753	Unraveling excited states of doped helium clusters Skrbic T, Moroni S, Baroni S
12754 - 12762	The hydrogen peroxide-rare gas systems: Quantum chemical calculations and hyperspherical harmonic representation of the potential energy surface for atom-floppy molecule interactions Barreto PRP, Vilela AFA, Lombardi A, Maciel GS, Palazzetti F, Aquilanti V
12763 - 12771	Hydrogen molecule in the small dodecahedral cage of a clathrate hydrate: Quantum translation-rotation dynamics at higher excitation energies Xu MZ, Sebastianelli F, Bacic Z
12772 - 12777	Dielectrophoretic trapping of single bacteria at carbon nanofiber nanoelectrode arrays Arumugam PU, Chen H, Cassell AM, Li J
12778 - 12784	Adsorption of benzene on coinage metals: A theoretical analysis using wavefunction-based methods Caputo R, Prascher BP, Staemmler V, Bagus PS, Woll C
12785 - 12794	Inelastic scattering dynamics of Ar from a perfluorinated self-assembled monolayer surface Vazquez SA, Morris JR, Rahaman A, Mazyar OA, Vayner G, Addepalli SV, Hase WL, Martinez-Nunez E
12795 - 12801	Dissociative photodetachment studies of I-2(-)center dot Ar: Coincident imaging of two- and three-body product channels Kautzman KE, Crider PE, Szpunar DE, Neumark DM
12802 - 12809	On the role of methyl torsional modes in the intersystem crossing dynamics of isolated molecules Alvarez-Valtierra L, Tan XQ, Pratt DW
12810 - 12815	Finite-temperature effects on the stability and infrared spectra of HCl(H2O)(6) clusters Ndongmouo UFT, Lee MS, Rousseau R, Baletto F, Scandolo S
12816 - 12821	Negative thermal expansion in single-component systems with isotropic interactions Rechtsman MC, Stillinger FH, Torquato S
12822 - 12838	Interactions in diatomic dimers involving closed-shell metals Patkowski K, Podeszwa R, Szalewicz K
12839 - 12853	Rovibrational energy transfer in the 4v(CH) manifold of acetylene, viewed by IR-UV double resonance spectroscopy. 5. Detailed kinetic model Payne MA, Milce AP, Frost MJ, Orr BJ
12854 - 12858	High-resolution mapping of the electrostatic potential in organic thin-film transistors by phase electrostatic force microscopy Annibale P, Albonetti C, Stoliar P, Biscarini F