화학공학소재연구정보센터

Journal of Chemical Physics

Journal of Chemical Physics, Vol.115, No.11 Entire volume, number list
ISSN: 0021-9606 (Print) 

In this Issue (45 articles)

4973 - 4976 Mapping the orientation of exciton transition dipoles along individual nanostructures of molecular J-aggregates
Vacha M, Saeki M, Isobe O, Hashizume K, Tani T
4977 - 4980 General trends in the barriers of catalytic reactions on transition metal surfaces
Liu ZP, Hu P
4981 - 4988 An ab initio procedure for deriving atomic polarizability tensors in molecules
Maple JR, Ewig CS
4989 - 5004 Design strategies for pulse sequences in multidimensional optical spectroscopies
Scheurer C, Mukamel S
5005 - 5014 Thermal relaxation of electron spin motion in a thermal equilibrium ensemble: Relation to paramagnetic nuclear magnetic resonance relaxation
Sharp R, Lohr L
5015 - 5026 Dissipative particle dynamics for interacting systems
Pagonabarraga I, Frenkel D
5027 - 5032 Parallel-hat tempering: A Monte Carlo search scheme for the identification of low-energy structures
Zhang Y, Skolnick J
5033 - 5040 Two-body coupled cluster expansions
Van Voorhis T, Head-Gordon M
5041 - 5046 Experimental study of photoionization of ozone in the 12 to 21 eV region
Mocellin A, Wiesner K, Burmeister F, Bjorneholm O, de Brito AN
5047 - 5052 Determination of the electric dipole moment and excited state Fermi contact parameter of the GeCH radical
Smith TC, Clouthier DJ, Steimle TC
5053 - 5058 Electron-impact ionization of NH3 and ND3
Rejoub R, Lindsay BG, Stebbings RF
5059 - 5065 Morphing the He-OCS intermolecular potential
Howson JMM, Hutson JM
5066 - 5075 On the effects of spin-orbit coupling on conical intersection seams in molecules with an odd number of electrons. II. Characterizing the local topography of the seam
Matsika S, Yarkony DR
5076 - 5088 Electronic decay in weakly bound heteroclusters: Energy transfer versus electron transfer
Zobeley J, Santra R, Cederbaum LS
5089 - 5100 Rotationally resolved spectra of transitions involving motion of the methyl group of acetaldehyde in the system (A)over-tilde(1)A ''-(X)over-tilde(1)A '
Chou YC, Huang CL, Chen IC, Ni CK, Kung AH
5101 - 5106 Probing hydrogen bond network formation in anion-water clusters through high energy collision experiments
Jorgensen P, Forster JS, Hvelplund P, Nielsen SB, Tomita S
5107 - 5116 A combined crossed beam and ab initio investigation on the reaction of carbon species with C4H6 isomers. III. 1,2-butadiene, H2CCCH(CH3) (X(1)A(')) - a non-Rice-Ramsperger-Kassel-Marcus system?
Balucani N, Lee HY, Mebel AM, Lee YT, Kaiser RI
5117 - 5125 Unimolecular decomposition of chemically activated triplet C4HD3 complexes: A combined crossed-beam and ab initio study
Kaiser RI, Mebel AM, Lee YT, Chang AHH
5126 - 5131 The 4p pi(3)Pi(g)-a(3)Sigma(+)(u) system in Ne-20(2) and Ne-22(2)
Conway JA, Shen F, Herring CM, Eden JG, Ginter ML
5132 - 5136 Exchange repulsion increases internal rotation floppiness
Pophristic V, Goodman L
5137 - 5143 High resolution infrared spectroscopy and ab initio calculations of HCN-H-2/D-2 binary complexes
Moore DT, Ishiguro M, Oudejans L, Miller RE
5144 - 5154 Binary complexes of HCN with H-2, HD, and D-2 formed in helium nanodroplets
Moore DT, Ishiguro M, Miller RE
5155 - 5159 Rotational spectra of the H-2-HCN cluster observed by millimeter-wave spectroscopy combined with a pulsed supersonic jet technique
Ishiguro M, Tanaka T, Harada K, Whitham CJ, Tanaka K
5160 - 5169 A quasiclassical trajectory study of product energy and angular distributions for the OH+D-2 reaction
Lakin MJ, Troya D, Lendvay G, Gonzalez M, Schatz GC
5170 - 5178 Photoelectron spectroscopy of mono-niobium carbide clusters NbCn-(n=2-7): Evidence for a cyclic to linear structural transition
Zhai HJ, Liu SR, Li X, Wang LS
5179 - 5183 Activation barriers for series of exothermic homologous reactions. VI. Reactions of lanthanide and transition metal atoms.
Blue AS, Fontijn A
5184 - 5191 Spectroscopic investigation of tetrahydroisoquinoline in supersonic jet
Chakraborty A, Guchhait N, Banerjee S, Nath D, Patwari GN, Chowdhury M
5192 - 5202 Intermolecular vibrations of the jet-cooled 2-pyridone center dot 2-hydroxypyridine mixed dimer, a model for tautomeric nucleic acid base pairs
Muller A, Talbot F, Leutwyler S
5203 - 5207 The permanent electric dipole moment of MgNC
Steimle TC, Bousquet RR
5208 - 5212 Lattice sums and their phase diagram implications for the classical Lennard-Jones model
Stillinger FH
5213 - 5219 Unbiased density functional solutions of freezing in binary mixtures of hard or soft spheres
Valera M, Bielby RF, Pinski FJ, Johnson DD
5220 - 5227 The reaction field of a water molecule in liquid water: Comparison of different quantum/classical models
Chalmet S, Ruiz-Lopez MF
5228 - 5237 A stable fluctuating-charge polarizable model for molecular dynamics simulations: Application to aqueous electron transfers
Ando K
5238 - 5243 A geometric model for cold water and liquid-liquid transitions
Guisoni N, Henriques VB
5244 - 5251 CO adsorption on hydrogen saturated Ru(0001)
Riedmuller B, Ciobica IM, Papageorgopoulos DC, Frechard F, Berenbak B, Kleyn AW, van Santen RA
5252 - 5257 Aluminum-barium interfaces on some processable poly(p-phenylene vinylene) polymers studied by photoelectron spectroscopy
Crispin A, Jonsson A, Fahlman M, Salaneck WR
5258 - 5271 Surface phase diagrams for wetting on heterogenous substrates
Rascon C, Parry AO
5272 - 5277 A density functional theory study of carbon monoxide oxidation on the Cu3Pt(111) alloy surface: Comparison with the reactions on Pt(111) and Cu(111)
Zhang CJ, Baxter RJ, Hu P, Alavi A, Lee MH
5278 - 5283 On the spectral shape of low-frequency excess scattering in Raman spectra of glasses
Novikov VN, Surovtsev NV, Kojima S
5284 - 5291 Effect of S and O on the growth of chemical-vapor deposition diamond (100) surfaces
Tamura H, Zhou H, Takami S, Kubo M, Miyamoto A, Gamo MN, Ando T
5292 - 5309 Density depletion profile and solvation free energy of a colloidal particle in a polymer solution
Maassen R, Eisenriegler E, Bringer A
5310 - 5318 Statics and dynamics of model dendrimers as studied by molecular dynamics simulations
Karatasos K, Adolf DB, Davies GR
5319 - 5330 Stability of colloidal clusters in shear flow near a wall: Stokesian dynamics simulation studies
Jones RB
5331 - 5337 A simple lattice model for phase transitions in block copolymers
Aranovich GL, Donohue MD
5338 - 5338 Comparison of planar shear flow and planar elongational flow for systems of small molecules (vol 113, pg 9122, 2000)
Matin ML, Daivis PJ, Todd BD