Journal of Chemical Physics

Journal of Chemical Physics, Vol.115, No.15 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (64 articles)

6807 - 6810	Observation of the cyclic water hexamer in solid parahydrogen Fajardo ME, Tam S
6811 - 6814	Effects of vibrational excitation of target N-2 molecule in charge-transfer reaction of He+ with N-2 at thermal energy Tsuji M, Tsuji T, Hamagami T, Nakano K
6815 - 6821	Quantum chemistry using the density matrix renormalization group Mitrushenkov AO, Fano G, Ortolani F, Linguerri R, Palmieri P
6822 - 6826	Higher order derivatives for nuclear indexes in the framework of density functional theory Chamorro E, Fuentealba P, Contreras R
6827 - 6833	Analysis of the linear response function along the adiabatic connection from the Kohn-Sham to the correlated system Savin A, Colonna F, Allavena M
6834 - 6840	Uncertainty of path integral averages at low temperature Whitfield TW, Straub JE
6841 - 6846	A fourth-order real-space algorithm for solving local Schrodinger equations Auer J, Krotscheck E, Chin SA
6847 - 6852	Statistical angular correlation coefficients and second electron-pair moments for atoms Koga T
6853 - 6861	An efficient combination of computational techniques for investigating electronic resonance states in molecules Santra R, Cederbaum LS
6862 - 6865	Intermediate Hamiltonian Fock-space coupled cluster method in the one-hole one-particle sector: Excitation energies of xenon and radon Landau A, Eliav E, Ishikawa Y, Kaldor U
6866 - 6875	Accuracy of free-energy perturbation calculations in molecular simulation. II. Heuristics Lu ND, Kofke DA
6876 - 6880	A note on quantum thermodynamic rate theories Pollak E, Shao J
6881 - 6897	Practical implementation of the instanton theory for the ground-state tunneling splitting Mil'nikov GV, Nakamura H
6898 - 6906	On the direct evaluation of the equilibrium distribution of clusters by simulation. II Kusaka I, Oxtoby DW, Wang ZG
6907 - 6912	Glyoxal photodissociation. II. An ab initio direct classical trajectory study of C2H2O2 -> CO+H2CO Li XS, Millam JM, Schlegel HB
6913 - 6919	Gas phase electronic spectrum of C3H in the visible Ding H, Pino T, Guthe F, Maier JP
6920 - 6930	An injection seeded narrow bandwidth pulsed optical parametric oscillator and its application to the investigation of hyperfine structure in the PF radical Fitzpatrick JAJ, Chekhlov OV, Elks JMF, Western CM, Ashworth SH
6931 - 6940	Transition state dynamics of the OH+OH -> O+H2O reaction studied by dissociative photodetachment of H2O2- Deyerl HJ, Clements TG, Luong AK, Continetti RE
6941 - 6945	Relative stabilities of H- and D-bonded isotopomers of HCN center dot center dot center dot HF and HNC center dot center dot center dot HF McDowell SAC
6946 - 6950	Conditions conducive to the chemi-ionization reaction O(P-3)+CH(X-2 Pi,a (4)Sigma(-))-> HCO+ (X-1 Sigma(+))+e(-) Metropoulos A, Mavridis A
6951 - 6960	Photoelectron spectroscopy of chlorine dioxide and its negative ion: A quantum dynamical study Mahapatra S, Krishnan GM
6961 - 6973	ArI2(X)-> Ar+I-2(B) photodissociation: Comparison between linear and T-shaped isomers dynamics Roncero O, Lepetit B, Beswick JA, Halberstadt N, Buchachenko AA
6974 - 6978	The visible laser excitation spectrum of YbOH: The (A)over-tilde(2)Pi-(X)over-tilde(2)Sigma(+) transition Melville TC, Coxon JA
6979 - 6989	Fourier transform microwave spectroscopy of the (2)Sigma(+) ground states of YbX (X=F, Cl, Br): Characterization of hyperfine effects and determination of the molecular geometries Dickinson CS, Coxon JA, Walker NR, Gerry MCL
6990 - 7001	Methylation effects in state resolved quenching of highly vibrationally excited azabenzenes (E-vib similar to 38500 cm(-1)). I. Collisions with water Elioff MS, Fang M, Mullin AS
7002 - 7005	Intracluster photodimerization of thymine: Size-dependent modes of cluster ion fragmentation Kim NJ, Kang H, Jeong G, Kim YS, Lee KT, Kim SK
7006 - 7014	Ab initio simulation of ammonia monohydrate (NH3 center dot H2O) and ammonium hydroxide (NH4OH) Fortes AD, Brodholt JP, Wood IG, Vocadlo L, Jenkins HDB
7015 - 7031	Ab initio (1)A ' ground potential energy surface and transition state theory kinetics study of the O(D-1)+N2O -> 2NO, N-2+O-2(a (1)Delta(g)) reactions Gonzalez M, Valero R, Anglada JM, Sayos R
7032 - 7040	Stabilization of predissociating nitric oxide Rydberg molecules using microwave and radio-frequency fields Murgu E, Martin JDD, Gallagher TF
7041 - 7050	Pyrolysis of sulfur tetrafluoride over boron: Excited-state rotational spectra and equilibrium structure of fluorothioborine (FBS) Bizzocchi L, Esposti CD
7051 - 7060	Excited-state orientation-dependent irreversible interconversion and fluorescence depolarization in organized molecular media. I. Theory Fisz JJ, Buczkowski M
7061 - 7065	Alternative configuration interaction expansions for transition metal ions with intermediate oxidation states in crystals: The structure and absorption spectrum of Cs2GeF6 : Mn4+ Barandiaran Z, Seijo L
7066 - 7070	High-pressure structures of methane hydrate observed up to 8 GPa at room temperature Hirai H, Uchihara Y, Fujihisa H, Sakashita M, Katoh E, Aoki K, Nagashima K, Yamamoto Y, Yagi T
7071 - 7075	Space-dependent self-diffusion processes in molten copper halides: A molecular dynamics study Alcaraz O, Trullas J
7076 - 7085	Anharmonic effects on photo-induced electron transfer: A Redfield approach Kalyanaraman C, Evans DG
7086 - 7093	CH2I2 fundamental vibrational relaxation in solution studied by transient electronic absorption spectroscopy Cheatum CM, Heckscher MM, Bingemann D, Crim FF
7094 - 7099	Application of time resolved area normalized emission spectroscopy to multicomponent systems Koti ASR, Periasamy N
7100 - 7106	Nonequilibrium translational-rotational effects in nucleation Reguera D, Rubi JM
7107 - 7122	Nonadiabatic donor-acceptor electron transfer mediated by a molecular bridge: A unified theoretical description of the superexchange and hopping mechanism Petrov EG, Shevchenko YV, Teslenko VI, May V
7123 - 7129	Contact pair correlation functions and equation of state for additive hard disk fluid mixtures Barrio C, Solana JR
7130 - 7143	Fluorescence depolarization in organized media. Two-excited-state reactions controlled by orientation-dependent kinetic rates. I. Theory Fisz JJ, Budzinski MP
7144 - 7160	Primary and secondary effective charges for electrical double layer systems with asymmetric electrolytes Ulander J, Greberg H, Kjellander R
7161 - 7165	Dimer-formation in the bis(arene)chromium fulleride Cr(C7H8)(2) C-60 Honnerscheid A, van Wullen L, Jansen M, Rahmer J, Mehring M
7166 - 7174	Templating of cylindrical and spherical block copolymer microdomains by layered silicates Silva AS, Mitchell CA, Tse MF, Wang HC, Krishnamoorti R
7175 - 7181	Effect of silicate layer anisotropy on cylindrical and spherical microdomain ordering in block copolymer nanocomposites Krishnamoorti R, Silva AS, Mitchell CA
7182 - 7186	A first principles study of methanol decomposition on Pd(111): Mechanisms for O-H bond scission and C-O bond scission Zhang CJ, Hu P
7187 - 7195	Infrared spectroscopy studies of iodoethane on Si(100)-2X1: Adsorption and thermal decomposition leading to adsorbate ordering Bulanin KM, Shah AG, Teplyakov AV
7196 - 7206	Ab initio molecular dynamics simulation of the Ag(111)-water interface Izvekov S, Voth GA
7207 - 7214	Structural relaxation kinetics of antimony borate glasses with covalent bonding character Honma T, Benino Y, Komatsu T, Sato R, Dimitrov V
7215 - 7218	La@C-60: A metallic endohedral fullerene Klingeler R, Kann G, Wirth I, Eisebitt S, Bechthold PS, Neeb M, Eberhardt W
7219 - 7226	Ab initio study of the electrochemical polymerization mechanism of omega-diamines Lakard B, Herlem G, Fahys B
7227 - 7234	Elastic constants from direct correlation functions in nematic liquid crystals: A computer simulation study Phuong NH, Germano G, Schmid F
7235 - 7244	Influence of disorder on the photoinduced excitations in phenyl substituted polythiophenes Brabec CJ, Winder C, Scharber MC, Sariciftci NS, Hummelen JC, Svensson M, Andersson MR
7245 - 7252	Electrostatic complexation of spheres and chains under elastic stress Schiessel H, Bruinsma RF, Gelbart WM
7253 - 7259	Exact results for parallel-chain kinetic models of biological transport Kolomeisky AB
7260 - 7270	The local free volume, glass transition, and ionic conductivity in a polymer electrolyte: A positron lifetime study Bamford D, Dlubek G, Reiche A, Alam MA, Meyer W, Galvosas P, Rittig F
7271 - 7284	Large scale and mesoscopic hydrodynamics for dissipative particle dynamics Ripoll M, Ernst MH, Espanol P
7285 - 7292	Conformational kinetics in liquid n-butane by transition path sampling Ramirez J, Laso M
7293 - 7297	Cooperative walks in a cubic lattice: Protein folding as a many-body problem Fernandez A
7298 - 7308	Complexation of DNA with positive spheres: Phase diagram of charge inversion and reentrant condensation Nguyen TT, Shklovskii BI
7309 - 7318	Monte Carlo simulation of polymer brushes in narrow pores Viduna D, Limpouchova Z, Prochazka K
7319 - 7329	Isotropic-nematic phase separation in asymmetrical rod-plate mixtures Wensink HH, Vroege GJ, Lekkerkerker HNW
7330 - 7330	Stoichiometry changes by selective vacancy formation on (110) surfaces of III-V semiconductors: Influence of electronic effects (vol 114, pg 445, 2001) Semmler U, Simon M, Ebert P, Urban K
7331 - 7331	Structures, energies, and vibrational spectra of water undecamer and dodecamer: An ab initio study (vol 114, pg 10749, 2001) Lee HM, Suh SB, Kim KS