Journal of Chemical Physics

Journal of Chemical Physics, Vol.120, No.17 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (58 articles)

7831 - 7836	Interelectronic angle densities of equivalent electrons in Hartree-Fock theory of atoms Koga T, Matsuyama H
7837 - 7848	Monomer basis-set truncation effects in calculations of interaction energies: A model study Kaczmarek A, Sadlej AJ, Leszczynski J
7849 - 7860	A computational strategy for geometry optimization of ionic and covalent excited states, applied to butadiene and hexatriene Boggio-Pasqua M, Bearpark MJ, Klene M, Robb MA
7861 - 7876	Body frames in the separation of collective angles in quantum N-body problems Meremianin AV
7877 - 7886	A growing string method for determining transition states: Comparison to the nudged elastic band and string methods Peters B, Heyden A, Bell AT, Chakraborty A
7887 - 7893	Extracting atoms from molecular electron densities via integral equations Gilbert ATB, Gill PMW, Taylor SW
7894 - 7900	The role of symmetry and optical selection rules in revealing the molecular structure of the lowest Rydberg and ionic states of the 1,4-diazabicyclo[2.2.2]octane-Ar-n (n=1,2,3) van der Waals complexes Belcher DE, Watkins MJ, Tonge N, Cockett MCR
7901 - 7909	Two- and three-body photodissociation of gas phase I-3(-) Hoops AA, Gascooke JR, Faulhaber AE, Kautzman KE, Neumark DM
7910 - 7926	Measurement of orientation and alignment moment relaxation by polarization spectroscopy: Theory and experiment Costen ML, Crichton HJ, McKendrick KG
7927 - 7932	Electronic properties of CrF and CrCl in the X (6)Sigma(+) state: Observation of the halogen hyperfine structure by Fourier transform microwave spectroscopy Katoh K, Okabayashi T, Tanimoto M, Sumiyoshi Y, Endo Y
7933 - 7938	Electron momentum spectroscopy of CF2Cl2: Experimental and theoretical momentum profiles for outer valence orbitals Chen XJ, Zhou LX, Zhang XH, Yin XF, Xu CK, Shan X, Wei Z, Xu KZ
7939 - 7948	Complete basis set extrapolated potential energy, dipole, and polarizability surfaces of alkali halide ion-neutral weakly avoided crossings with and without applied electric fields Giese TJ, York DM
7949 - 7954	Ground and excited states of NH4: Electron propagator and quantum defect analysis Ortiz JV, Martin I, Velasco AM, Lavin C
7955 - 7962	Products of the addition of water molecules to Al3O3- clusters: Structure, bonding, and electron binding energies in Al3O4H2-, Al3O5H4-, Al3O4H2, and Al3O5H4 Tenorio FJ, Murray I, Martinez A, Klabunde KJ, Ortiz JV
7963 - 7970	Theoretical prediction of electronic structures of fully pi-conjugated zinc oligoporphyrins with curved surface structures Yamaguchi Y
7971 - 7975	Quantum chemical density-functional theory calculations of the structures of defect C-60 with four vacancies Hu YH, Ruckenstein E
7976 - 7982	Exploring the dynamics of hydrogen atom release from the radical-radical reaction of O(P-3) with C3H5 Joo SK, Kwon LK, Lee H, Choi JH
7983 - 7986	Formation of doubly positively charged diatomic ions of Mo-2(2+) produced by Ar+ sputtering of an Mo metal surface Franzreb K, Sobers RC, Lorincik J, Williams P
7987 - 7997	Calculation of the transport properties of carbon dioxide. II. Thermal conductivity and thermomagnetic effects Bock S, Bich E, Vogel E, Dickinson AS, Vesovic V
7998 - 8001	Positive electron affinity of fullerenes: Its effect and origin Luo J, Peng LM, Xue ZQ, Wu JL
8002 - 8014	Quantum model simulations of symmetry breaking and control of bond selective dissociation of FHF- using IR+UV laser pulses Elghobashi N, Gonzalez L, Manz J
8015 - 8019	Mass analyzed threshold ionization spectroscopy of p-fluorostyrene Georgiev S, Neusser HJ, Chakraborty T
8020 - 8024	Ab initio study on structural and electronic properties of BanOm clusters Chen G, Liu ZF, Giong XG
8025 - 8030	Yield of electronically excited N-2 molecules from the dissociative recombination of N2H+ with e(-) Rosati RE, Johnsen R, Golde MF
8031 - 8038	Mass transport following impulsive optical excitation Wei TH, Wang CC, Wu TT, Chen CW, Li XB, Huang TH, Yang S, Wei TY
8039 - 8052	Adapting the nudged elastic band method for determining minimum-energy paths of chemical reactions in enzymes Xie L, Liu HY, Yang WT
8053 - 8059	Fictive temperature, cooling rate, and viscosity of glasses Yue YZ, von der Ohe R, Jensen SL
8060 - 8066	Equation of state and structural changes in diaminodinitroethylene under compression Peiris SM, Wong CP, Zerilli FJ
8067 - 8078	A pulse sequence for directly measuring the anharmonicities of coupled vibrations: Two-quantum two-dimensional infrared spectroscopy Fulmer EC, Mukherjee P, Krummel AT, Zanni MT
8079 - 8088	Pattern formation in excitable media with concentration-dependent diffusivities Roussel MR, Wang JC
8089 - 8094	Collective dynamics in molten potassium: An inelastic x-ray scattering study Monaco A, Scopigno T, Benassi P, Giugni A, Monaco G, Nardone M, Ruocco G, Sampoli M
8095 - 8106	Activated radiationless decay of rhodamine-3B: Nonequilibrium polarization effects in viscous solvents Ferreira JAB, Costa SMB
8107 - 8117	Combined electronic structure/molecular dynamics approach for ultrafast infrared spectroscopy of dilute HOD in liquid H2O and D2O Corcelli SA, Lawrence CP, Skinner JL
8118 - 8124	Kinetics of Ca2+ complexation with some carbohydrates in aqueous solutions Baucke E, Behrends R, Fuchs K, Hagen R, Kaatze U
8125 - 8133	Simulations of time-dependent fluorescence in nano-confined solvents Thompson WH
8134 - 8143	Comparison of kinetic Monte Carlo and molecular dynamics simulations of diffusion in a model glass former Middleton TF, Wales DJ
8144 - 8156	Onset of decoherence: Six-wave mixing measurements of vibrational decoherence on the excited electronic state of I-2 in solid argon Bihary Z, Karavitis M, Apkarian VA
8157 - 8165	A path integral influence functional for excess electron in fluids: Density-functional formulation Sumi T, Sekino H
8166 - 8171	Rapid fluorescence quenching of S-2-xanthione by 3,3-diethylpentane in perfluorohydrocarbons Krystkowiak E
8172 - 8185	Molecular dynamics simulations of transport and separation of carbon dioxide-alkane mixtures in carbon nanopores Firouzi M, Nezhad KM, Tsotsis TT, Sahimi M
8186 - 8194	Characterization of the molecular parameters determining charge transport in anthradithiophene Kwon O, Coropceanu V, Gruhn NE, Durivage JC, Laquindanum JG, Katz HE, Cornil J, Bredas JL
8195 - 8200	Dynamics of caged ions in glassy ionic conductors Habasaki J, Ngai KL, Hiwatari Y
8201 - 8215	Signatures of beta-sheet secondary structures in linear and two-dimensional infrared spectroscopy Cheatum CM, Tokmakoff A, Knoester J
8216 - 8221	Atomic hydrogen interaction with Ru(10(1)over-bar0) Vesselli E, Comelli G, Rosei R
8222 - 8225	Different adsorption structures of pyridine on Si(001) and Ge(001) surfaces Kim HJ, Cho JH
8226 - 8240	Dissociative photolonization of N2O in the region of the N2O+(B (2)Pi) state studied by ion-electron velocity vector correlation Lebech M, Houver JC, Dowek D, Lucchese RR
8241 - 8252	Simplified crossover droplet model for adsorption of pure fluids in slit pores Kiselev SB, Ely JF
8253 - 8261	Amplification of chirality in helical supramolecular polymers beyond the long-chain limit van Gestel J, van der Schoot P, Michels MAJ
8262 - 8270	Mesoscopic model for diffusion-influenced reaction dynamics Tucci K, Kapral R
8271 - 8276	Folding of small proteins using a single continuous potential Kim SY, Lee J, Lee J
8277 - 8282	Relaxation processes in mixtures of liquid crystals and polymers near phase boundaries and during phase separation Freyssingeas E, Graca M, Wieczorek SA, Holyst R
8283 - 8291	Jamming concepts in cold polymeric glasses Koga T, Edwards SF
8292 - 8298	A finite-size scaling study of a model of globular proteins Pagan DL, Gracheva ME, Gunton JD
8299 - 8306	Bulk and interfacial properties of binary polymer mixtures Bryk P, Sokolowski S
8307 - 8317	Thermodynamics of beta-amyloid fibril formation Tiana G, Simona F, Brogliaa RA, Colombo G
8318 - 8326	Crystal nucleation for a model of globular proteins Shiryayev A, Gunton JD
8327 - 8333	Density and energy relaxation in an open one-dimensional system Jose PP, Bagchi B
8334 - 8334	Comment on "Group-theoretical analysis of the electronic structure data for molecular ions C-60(N +/-) (I-h) derived from multipole expansion of the Coulomb interelectronic interactions" [J. Chem. Phys. 119, 11429 (2003)] Nikolaev AV, Michel KH