Journal of Chemical Physics

Journal of Chemical Physics, Vol.121, No.20 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (59 articles)

9765 - 9768	Strong light fields coax intramolecular reactions on femtosecond time scales Krishnamurthy M, Rajgara FA, Mathur D
9769 - 9775	Molecular potential energy surfaces by interpolation: Strategies for faster convergence Moyano GE, Collins MA
9776 - 9792	Comparison of methods for finding saddle points without knowledge of the final states Olsen RA, Kroes GJ, Henkelman G, Arnaldsson A, Jonsson H
9793 - 9802	Scaled opposite-spin second order Moller-Plesset correlation energy: An economical electronic structure method Jung YS, Lochan RC, Dutoi AD, Head-Gordon M
9803 - 9807	Real-time linear response for time-dependent density-functional theory Baer R, Neuhauser D
9808 - 9819	Parallel replica dynamics with a heterogeneous distribution of barriers: Application to n-hexadecane pyrolysis Kum O, Dickson BM, Stuart SJ, Uberuaga BP, Voter AF
9820 - 9829	Nonperturbative modeling of two-photon absorption in a three-state system Lucht RP, Roy S, Gord JR
9830 - 9843	Spatial distributions of angular momenta in quantum and quasiclassical stereodynamics de Miranda MP, Aoiz FJ, Saez-Rabanos V, Brouard M
9844 - 9854	Efficiency considerations in the construction of interpolated potential energy surfaces for the calculation of quantum observables by diffusion Monte Carlo Crittenden DL, Thompson KC, Chebib M, Jordan MJT
9855 - 9864	Photoionization and photodissociation dynamics of the B-1 Sigma(+)(u) and C-1 Pi(u) states of H-2 and D-2 Aguirre F, Pratt ST
9865 - 9875	Transition state dynamics of OHF on several electronic states: Photodetachment spectrum of OHF- and conical intersections Gonzalez-Sanchez L, Gomez-Carrasco S, Aguado A, Paniagua M, Hernandez ML, Alvarino JM, Roncero O
9876 - 9884	Relaxation behavior of rovibrationally excited H-2 in a rarefied expansion Vankan P, Schram DC, Engeln R
9885 - 9890	Microwave Fourier transform spectrum of the water-carbonyl sulfide complex Tatamitani Y, Ogata T
9891 - 9897	Dissociative electron attachment to dinitrogen pentoxide, N2O5 Cicman P, Buchanan GA, Marston G, Gulejova B, Skalny JD, Mason NJ, Scheier P, Mark TD
9898 - 9905	Different approaches for the calculation of electronic excited states of nonstoichiometric alkali halide clusters: The example of Na3F Durand G, Heitz MC, Spiegelman F, Meier C, Mitric R, Bonacic-Koutecky V, Pittner J
9906 - 9916	Ultrafast excited state dynamics of the Na3F cluster: Quantum wave packet and classical trajectory calculations compared to experimental results Heitz MC, Durand G, Spiegelman F, Meier C, Mitric R, Bonacic-Koutecky V
9917 - 9924	Magnitude and orientation dependence of intermolecular interaction of perfluoropropane dimer studied by high-level ab initio calculations: Comparison with propane dimer Tsuzuki S, Uchimaru T, Mikami M, Urata S
9925 - 9930	Density functional study of the adsorption of propene on silver clusters, Ag-m(q) (m=1-5; q=0,+1) Chretien S, Gordon MS, Metiu H
9931 - 9937	Density functional study of the adsorption of propene on mixed gold-silver clusters, AunAgm: Propensity rules for binding Chretien S, Gordon MS, Metiu H
9938 - 9947	Optical-optical double resonance photoionization spectroscopy of nf Rydberg states of nitric oxide Zhao RC, Konen IM, Zare RN
9948 - 9958	Collisional deexcitation of optically allowed excited atoms by axially symmetric molecules Watanabe T, Stener M
9959 - 9963	Theoretical determination of parity-violating vibrational frequency differences between the enantiomers of chiral molecules Viglione RG
9964 - 9970	Spatially resolved gas phase composition measurements in supersonic flows using tunable diode laser absorption spectroscopy Paci P, Zvinevich Y, Tanimura S, Wyslouzil BE, Zahniser M, Shorter J, Nelson D, McManus B
9971 - 9981	Double proton transfer behavior and one-electron oxidation effect in double H-bonded glycinamide-formic acid complex Li P, Bu YX
9982 - 9992	Ab initio benchmark study for the oxidative addition of CH4 to Pd: Importance of basis-set flexibility and polarization de Jong GT, Sola M, Visscher L, Bickelhaupt FM
9993 - 9998	Electron attachment and detachment: Electron affinities of isomers of trifluoromethylbenzonitrile Miller TM, Viggiano AA, Friedman JF, Van Doren JM
9999 - 10005	Reaction kinetics of the addition of atomic sulfur to nitric oxide Goumri A, Shao DD, Marshall P
10006 - 10014	Mechanism for the formation of gas-phase protonated alcohol-ether adducts by VUV laser ionization and density-functional calculations Lam S, Shi YJ, Mosey NJ, Woo TK, Lipson RH
10015 - 10025	Time-resolved relaxation dynamics of Hg-n(-) (11 <= n <= 16,n=18) clusters following intraband excitation at 1.5 eV Verlet JRR, Bragg AE, Kammrath A, Cheshnovsky O, Neumark DM
10026 - 10040	Broken-symmetry unrestricted hybrid density functional calculations on nickel dimer and nickel hydride Diaconu CV, Cho AE, Doll JD, Freeman DL
10041 - 10051	Ab initio calculations and vibrational energy level fits for the lower singlet potential-energy surfaces of C-3 Ahmed K, Balint-Kurti GG, Western CM
10052 - 10064	Path integral influence functional theory of dynamics of coherence between vibrational states of solute in condensed phase Mikami T, Okazaki S
10065 - 10075	X-ray absorption spectra of water within a plane-wave Car-Parrinello molecular dynamics framework Cavalleri M, Odelius M, Nilsson A, Pettersson LGM
10076 - 10087	The decay of pair correlations in quantum hard-sphere fluids Bailey LE, Sese LM
10088 - 10095	Vibrational relaxation in the condensed phase Bakker HJ
10096 - 10103	A modified TIP3P water potential for simulation with Ewald summation Price DJ, Brooks CL
10104 - 10110	Selection rules for probing biexcitons and electron spin transitions in isotropic quantum dot ensembles Scholes GD
10111 - 10119	Density-functional theory-based molecular simulation study of liquid methanol Handgraaf JW, Meijer EJ, Gaigeot MP
10120 - 10137	Out-of-equilibrium dynamical fluctuations in glassy systems Chamon C, Charbonneau P, Cugliandolo LF, Reichman DR, Sellitto M
10138 - 10144	Photocontrolled oscillatory dynamics in the bromate-1,4-cyclohexanedione reaction Wang JC, Yadav K, Zhao B, Gao QY, Huh DS
10145 - 10158	Combinatorial entropy and phase diagram of partially ordered ice phases MacDowell LG, Sanz E, Vega C, Abascal JLF
10159 - 10166	Locating stationary points of sorbate-zeolite potential energy surfaces using interval analysis Lin YD, Stadtherr MA
10167 - 10173	Two-photon two-color nuclear magnetic resonance Eles PT, Michal CA
10174 - 10180	Frequency- and time-domain femtosecond vibrational sum frequency generation from CO adsorbed on Pt(111) Roeterdink WG, Berg O, Bonn M
10181 - 10189	Intrinsic and extrinsic factors in anion electron-stimulated desorption: D- from deuterated hydrocarbons condensed on Kr and water ice films Mozejko P, Bass AD, Parenteau L, Sanche L
10190 - 10202	Radiative and nonradiative decay rates of a molecule close to a metal particle of complex shape Andreussi O, Corni S, Mennucci B, Tomasi J
10203 - 10208	Molecular ordering in isonicotinic acid on rutile TiO2(110) investigated with valence band photoemission O'Shea JN, Swarbrick JC, Nilson K, Puglia C, Brena B, Luo Y, Dhanak VR
10209 - 10216	Effect of cation distribution on self-diffusion of molecular hydrogen in Na3Al3Si3O12 sodalite: A molecular dynamics study van den Berg AWC, Bromley ST, Flikkema E, Jansen JC
10217 - 10222	Surface phase behavior in Langmuir monolayers of diethylene glycol mono-n-hexadecyl ether at the air-water interface Islam MN, Kato T
10223 - 10232	Vibrational relaxation at the liquid/liquid interface Benjamin I
10233 - 10240	CdS : Mn nanocrystals passivated by ZnS: Synthesis and luminescent properties Yang HS, Holloway PH, Cunningham G, Schanze KS
10241 - 10249	First-principles study of C adsorption, O adsorption, and CO dissociation on flat and stepped Ni surfaces Li T, Bhatia B, Sholl DS
10250 - 10259	Solution combustion derived nanocrystalline Zn2SiO4 : Mn phosphors: A spectroscopic view Sreekanth Chakradhar RP, Nagabhushana BM, Chandrappa GT, Ramesh KP, Rao JL
10260 - 10267	Line shapes and satellites in high-resolution x-ray photoelectron spectra of large pi-conjugated organic molecules Scholl A, Zou Y, Jung M, Schmidt T, Fink R, Umbach E
10268 - 10277	Translocation of a beta-hairpin-forming peptide through a cylindrical tunnel Kirmizialtin S, Ganesan V, Makarov DE
10278 - 10283	Fractional Brownian dynamics in proteins Kneller GR, Hinsen K
10284 - 10290	Effect of salt bridges on the energy landscape of a model protein Wales DJ, Dewsbury PEJ
10291 - 10298	General relationships between the mobility of a chain fluid and various computed scalar metrics Budzien J, McCoy JD, Adolf DB
10299 - 10308	Discrimination in isotropic, nematic, and smectic phases of chiral calamitic molecules: A computer simulation study Huh Y, Cann NM