Journal of Chemical Physics

Journal of Chemical Physics, Vol.120, No.3 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (64 articles)

1145 - 1148	Quantum mechanical map for protein-ligand binding with application to beta-trypsin/benzamidine complex Zhang DW, Xiang Y, Gao AM, Zhang JZH
1149 - 1152	Isotropic-liquid crystalline phase diagram of a CdSe nanorod solution Li LS, Marjanska M, Park GHJ, Pines A, Alivisatos AP
1153 - 1156	Rules for minimal atomic multipole expansion of molecular fields Tsiper EV, Burke K
1157 - 1160	Capillary force in atomic force microscopy Jang JK, Schatz GC, Ratner MA
1161 - 1163	Full S matrix calculation via a single real-symmetric Lanczos recursion: The Lanczos artificial boundary inhomogeneity method Zhang H, Smith SC
1164 - 1167	Vibrational mode selectivity in hyperfine interactions: Polarization quantum beat spectroscopy of HCF((A)over-tilde(1)A('')) Ionescu I, Fan HY, Annesley C, Xin J, Reid SA
1168 - 1171	Infrared matrix-isolation spectroscopy using pulsed deposition of p-H-2 Wu YJ, Yang XM, Lee YP
1172 - 1180	Theory of time-resolved photoelectron imaging. Comparison of a density functional with a time-dependent density functional approach Suzuki Y, Seideman T, Stener M
1181 - 1190	Energy conserving approximations to the quantum potential: Dynamics with linearized quantum force Garashchuk S, Rassolov VA
1191 - 1196	Wavelet treatment of structure and thermodynamics of simple liquids Chuev GN, Fedorov MV
1197 - 1202	Predicting shielding constants in solution using gauge invariant atomic orbital theory and the effective fragment potential method Freitag MA, Hillman B, Agrawal A, Gordon MS
1203 - 1207	Ab initio torsional potential and transition frequencies of acetaldehyde Csaszar AG, Szalay V, Senent ML
1208 - 1216	A theory of nonvertical triplet energy transfer in terms of accurate potential energy surfaces: The transfer reaction from pi,pi(*) triplet donors to 1,3,5,7-cyclooctatetraene Frutos LM, Castano O, Andres JL, Merchan M, Acuna AU
1217 - 1222	DFT : B3LYP ab initio molecular dynamics study of the Zundel and Eigen proton complexes, H5O2+ and H9O4+, in the triplet state in gas phase and solution Tulub AA
1223 - 1230	A concerted three-body formation X+Y+C2H4 in the photodissociation of CH2XCH2Y (X,Y=Br,Cl) at 193 nm Lee YR, Chen CC, Lin SM
1231 - 1238	Quantum wave packet and quasiclassical trajectory studies of OH+CO: Influence of the reactant channel well on thermal rate constants Medvedev DM, Gray SK, Goldfield EM, Lakin MJ, Troya D, Schatz GC
1239 - 1244	Laser-induced fluorescence spectroscopy of 3,4,9,10-perylenetetracarboxylic-dianhydrid in helium nanodroplets Wewer M, Stienkemeier F
1245 - 1252	CASSCF and CASPT2 studies on the structures, transition energies, and dipole moments of ground and excited states for azulene Murakami A, Kobayashi T, Goldberg A, Nakamura S
1253 - 1262	Activation barriers and rate constants for hydration of platinum and palladium square-planar complexes: An ab initio study Burda JV, Zeizinger M, Leszczynski J
1263 - 1270	Zero kinetic energy photoelectron study of SO2+(X(2)A(1)) using coherent extreme ultraviolet radiation Mo YX, Yang J, Chen GY
1271 - 1278	Nonadiabatic interactions in wave packet dynamics of the bromoacetyl chloride photodissociation Lasorne B, Bacchus-Montabonel MC, Vaeck N, Desouter-Lecomte M
1279 - 1291	The dissociation adiabaticity parameter and the strong field dissociation of HCl+ Paci JT, Wardlaw DM
1292 - 1305	Franck-Condon simulation of the single vibronic level emission spectra of HSiF and DSiF including anharmonicity Mok DKW, Lee EPF, Chau FT, Dyke JM
1306 - 1317	A study of the mode-selective trans-cis isomerization in HONO using ab initio methodology Richter F, Hochlaf M, Rosmus P, Gatti F, Meyer HD
1318 - 1329	Improved LeRoy-Bernstein near-dissociation expansion formula, and prospect for photoassociation spectroscopy Comparat D
1330 - 1335	An ab initio theoretical prediction: An antiaromatic ring pi-dihydrogen bond accompanied by two secondary interactions in a "wheel with a pair of pedals" shaped complex FH center dot center dot center dot C4H4 center dot center dot center dot HF Wu D, Li ZR, Hao XY, Jalbout AF, Adamowicz L, Li RJ, Sun CC
1336 - 1347	Electron and nuclear dynamics of molecular clusters in ultraintense laser fields. I. Extreme multielectron ionization Last I, Jortner J
1348 - 1360	Electron and nuclear dynamics of molecular clusters in ultraintense laser fields. II. Electron dynamics and outer ionization of the nanoplasma Last I, Jortner J
1361 - 1368	Applications of pi-photon-induced transparency in two-frequency pulse electron paramagnetic resonance experiments Fedin M, Kalin M, Gromov I, Schweiger A
1369 - 1374	Solvatochromic and thermochromic shifts of electronic spectra of polar solute molecules in a mixture of polar and nonpolar solvent; the role of solvent-solvent interactions Gorbatsevich SK, Smirnova OY
1375 - 1382	Dipole solvation in dielectrics Matyushov DV
1383 - 1394	Environmental swap energy and role of configurational entropy in transfer of small molecules from water into alkanes Smejtek P, Word RC
1395 - 1401	Molecular-dynamics studies of surface of ice Ih Ikeda-Fukazawa T, Kawamura K
1402 - 1413	Ion mobilities and microscopic dynamics in liquid (Li,K)Cl Morgan B, Madden PA
1414 - 1425	Photochemistry in the charge transfer and neutral excited states of HCl in Xe and Kr matrices Berghof V, Gudipati MS, Schwentner N
1426 - 1435	Dynamic light scattering in liquid and supercooled diphenylmethane Rubio JEF, Baonza VG, Taravillo M, Nunez J, Caceres M
1436 - 1449	Low temperature electron transfer in strongly condensed phase Ankerhold J, Lehle H
1450 - 1457	Experimental CC Stretching phonon dispersion curves and electron phonon coupling in polyene derivatives Bianco A, Del Zoppo M, Zerbi G
1458 - 1465	A fully self-consistent treatment of collective fluctuations in quantum liquids Rabani E, Reichman DR
1466 - 1476	Nonresonant holeburning in the Terahertz range: Brownian oscillator model Haberle U, Diezemann G
1477 - 1490	Non-Gaussian statistics of amide I mode frequency fluctuation of N-methylacetamide in methanol solution: Linear and nonlinear vibrational spectra Kwac K, Lee H, Cho MH
1491 - 1499	Semiclassical calculation of the vibrational echo Noid WG, Ezra GS, Loring RF
1500 - 1505	Charge transfer mechanism in hybrid bulk heterojunction composites Kucur E, Riegler J, Urban GA, Nann T
1506 - 1510	Attraction-driven disorder in a hard-core colloidal monolayer Huerta A, Naumis GG, Wasan DT, Henderson D, Trokhymchuk A
1511 - 1515	Surface nuclear spin relaxation of Hg-199 Romalis MV, Lin L
1516 - 1523	Adsorption, desorption, and clustering of H2O on Pt(111) Daschbach JL, Peden BM, Smith RS, Kay BD
1524 - 1534	Adsorption and order formation of colloidal nanoparticles on a substrate: A Brownian dynamics study Miyahara M, Watanabe S, Gotoh Y, Higashitani K
1535 - 1541	Interfacial statistical geometry: Fluids adsorbed in wedges and at edges Henderson JR
1542 - 1554	Theoretical analysis of electron transport through organic molecules Tomfohr J, Sankey OF
1555 - 1559	Indirect adsorbate-adsorbate interactions mediated through the surface electronic structure of the Si(100) surface Widjaja Y, Musgrave CB
1560 - 1571	The chemical shifts of Xe in the cages of clathrate hydrate Structures I and II Stueber D, Jameson CJ
1572 - 1584	The dynamics of endohedral complex formation in surface pick-up scattering as probed by kinetic energy distributions: Experiment and model calculation for Cs@C-60(+) Kaplan A, Manor Y, Bekkerman A, Tsipinyuk B, Kolodney E
1585 - 1593	Surface-plasmon-resonance-enhanced cavity ring-down detection Pipino ACR, Woodward JT, Meuse CW, Silin V
1594 - 1601	Bead-bead interaction parameters in dissipative particle dynamics: Relation to bead-size, solubility parameter, and surface tension Maiti A, McGrother S
1602 - 1612	Contact pair dynamics during folding of two small proteins: Chicken villin head piece and the Alzheimer protein beta-amyloid Mukherjee A, Bagchi B
1613 - 1616	Vacuum-ultraviolet spectroscopy of poly(methylphenylsilylene) Phifer CC, Thomes WJ, Simmons-Potter K, Potter BG
1617 - 1626	Spatial regimes in the dynamics of polyolefins: Collective motion Neelakantan A, Maranas JK
1627 - 1631	The behavior of the form factor in two dimensions for linear polymers in different regimes Harnett J, Bishop M
1632 - 1641	Thermodiffusion of interacting colloids. I. A statistical thermodynamics approach Dhont JKG
1642 - 1653	Thermodiffusion of interacting colloids. II. A microscopic approach Dhont JKG
1654 - 1656	The melting lines of model silicon calculated from coexisting solid-liquid phases Yoo S, Zeng XC, Morris JR
1657 - 1658	Comment on "An interpretation of the low-frequency spectrum of liquid water" [J. Chem. Phys. 118, 452 (2003)] De Santis A, Ercoli A, Rocca D
1659 - 1660	Response to "Comment on'An interpretation of the low-frequency spectrum of liquid water' " Padro JA, Marti J
1661 - 1662	On the structure of polyelectrolyte solutions near the idealized counterion condensation threshold (vol 116, pg 5315, 2002) Donley JP