Chemical Physics Letters

Chemical Physics Letters, Vol.325, No.1-3 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (47 articles)

1 - 6	Density-functional theory of potassium atoms in zeolite Shrivastava KN, Belosludov R, Zhanpeisov N, Takami S, Kubo M, Miyamoto A
7 - 14	Properties and nature of interactions in Cl-(H2O)(n) n=1,6 clusters: a theoretical study Gora RW, Roszak S, Leszczynski J
15 - 21	Determination of effective pair potentials from ab initio simulations: application to liquid water Lyubartsev AP, Laaksonen A
22 - 28	A theoretical study for the isomers of neutral, cationic and anionic phosphorus clusters P-5, P-7, P-9 Chen MD, Huang RB, Zheng LS, Zhang QE, Au CT
29 - 32	Atomic ionization radii using Janak's theorem Sen KD, Garza J, Vargas R, Vela A
33 - 38	Application of fast field cycling proton NMR relaxation spectroscopy to a crystalline solid Wang YL, Belton PS
39 - 45	Magnetic field dependent picosecond intersystem crossing. The role of molecular symmetry Gilch P, Musewald C, Michel-Beyerle ME
46 - 52	Singlet and triplet Sigma(+) excited states of NaH and KH: undulating potential energy curves Lee HS, Lee YS, Jeung GH
53 - 60	What are the possible structures for CNx compounds? The example of C3N Sandre E, Pickard CJ, Colliex C
61 - 68	Relationship between charge transfer and the structural deformation in para-substituted aniline derivatives Mhin BJ, Park BH
69 - 72	Density functional studies of phenoxyl-Na+ ion complexes: implications for tyrosyl free radical interactions in vitro O'Malley PJ
73 - 78	Quantum wave packet dynamics with trajectories: reflections on a downhill ramp potential Lopreore CL, Wyatt RE
79 - 85	Molecular gradients for semiempirical CI wavefunctions with floating occupation molecular orbitals Granucci G, Toniolo A
86 - 92	An ab initio study on photodissociation of acetone Liu D, Fang WH, Fu XY
93 - 98	Approximate second-order SCF convergence for spin unrestricted wavefunctions Neese F
99 - 105	Performance of the'parameter free' PBE0 functional for the modeling of molecular properties of heavy metals Vetere V, Adamo C, Maldivi P
106 - 114	Manifestation of ion-molecular charge transfer in the kinetics of microwave field effect on recombination fluorescence Morozov VA, Gorelik EV, Lukzen NN, Sagdeev RZ, Anishchik SV
115 - 119	Five-membered rings as diazo components in optical data storage devices: an ab initio investigation of the lowest singlet excitation energies Astrand PO, Sommer-Larsen P, Hvilsted S, Ramanujam PS, Bak KL, Sauer SPA
120 - 126	Orthogonality constrained excited states Surjan PR
127 - 131	Ultrafast third-order optical nonlinearity of polybenzonitriles Zhang TQ, Wang SF, Yang H, Gong QH, Chen HY, Wang Q, Luo JG, Luo CQ
132 - 138	Excitation energy migration in highly emissive semiconducting polymers List EJW, Creely C, Leising G, Schulte N, Schluter AD, Scherf U, Mullen K, Graupner W
139 - 145	Hot-band excitation of CO chemisorbed on Ru(001) studied with broadband-IR sum-frequency generation Hess C, Bonn M, Funk S, Wolf M
146 - 152	Velocity map imaging and REMPI study of the photodissociation of CH3SCH3 from the first absorption band Quintana P, Delmdahl RF, Parker DH, Martinez-Haya B, Aoiz FJ, Banares L, Verdasco E
153 - 162	Optical spectroscopy of perfluorothiophenyl, perfluorothionaphthyl, xanthate and dithiophosphinate radicals Plyusnin VF, Ivanov YV, Grivin VP, Vorobjev DY, Larionov SV, Maksimov AM, Platonov VE, Tkachenko NV, Lemmetyinen H
163 - 170	Structural study of the 1-3-5 trifluorobenzene dimer stability: from liquid to gas densities using supercritical conditions Cabaco MI, Tassaing T, Danten Y, Besnard M
171 - 175	Femtosecond laser studies of excited state intramolecular proton transfer in an ultraviolet-filter molecule Fournier T, Pommeret S, Mialocq JC, Deflandre A, Rozot R
176 - 182	The relaxation process of the excitonic states in polydiacetylene studied by time- and wavenumber-resolved femtosecond coherent anti-Stokes Raman scattering Chen T, Vierheilig A, Waltner P, Kiefer W, Materny A
183 - 188	Spin distributions and excitation spectra of optically generated polarons in poly(phenylenevinylene) derivatives Kuroda S, Marumoto K, Ito H, Greenham NC, Friend RH, Shimoi Y, Abe S
189 - 195	Rate constants for the reactions of OH radicals with CF3OCF=CF2 and CF3CF=CF2 Tokuhashi K, Takahashi A, Kaise M, Kondo S, Sekiya A, Fujimoto E
196 - 202	Intrinsic conformer jumps observed by single molecule spectroscopy in real time Stracke F, Blum C, Becker S, Mullen K, Meixner AJ
203 - 211	Ionization of C3F8 by electron and ion impact Jiao CQ, Garscadden A, Haaland PD
212 - 218	Picosecond transient infrared spectra and structure of S-1 diphenylacetylene in solution Ishibashi T, Okamoto H, Hamaguchi H
219 - 224	Molecular dynamics of coil-rod-coil molecules depending on their concentrations in polar or non-polar solvent: intra- and intermolecular interactions and charge transfer emissions Hwang IW, Choi WH, Cho BK, Lee M, Kim YR
225 - 231	AU(2)(2+) has bound excited states Barysz M, Pyykko P
232 - 240	Further investigations of the (A)over-tilde <- (X)over-tilde transition of the Kr center dot NO and XeNO complexes using (1+1) REMPI spectroscopy Gamblin SD, Daire SE, Lozeille J, Wright TG
241 - 250	Ln-4f/ligand-2p covalence in BaLnO(3) and Cs(3)LnF(7) (Ln = Ce, Pr, Tb) Hu Z, Kaindl G, Ogasawara H, Kotani A, Felner I
251 - 256	White light emission from a single layer organic light emitting diode fabricated by spincoating Yang JP, Jin YD, Heremans PL, Hoefnagels R, Dieltiens P, Blockhuys F, Geise HJ, Van der Auweraer M, Borghs G
257 - 263	The up-conversion of near-infrared excitation radiation in Ho3+-doped LiYF4 Kuck S, Sokolska I
264 - 268	Polarization effects in laser photofragmentation of Rydberg Matter clusters K-N(*) in a weak electric field Wang JX, Holmlid L
269 - 274	Atomic and electronic structures of small GaAs clusters Yi JY
275 - 280	Novel selective etching reaction of carbon atoms on molybdenum carbide by oxygen at room temperature visualized by scanning tunneling microscopy Fukui K, Lo RL, Otani S, Iwasawa Y
281 - 287	Binary fluid mixture confined between macroparticles: surface-induced phase transition and long-range surface forces Kinoshita M
288 - 292	Photoinduced chesorluminescence from radical processes on ZrO2 surfaces Andreev NS, Emeline AV, Khudnev VA, Polikhova SA, Ryabchuk VK, Serpone N
293 - 298	Monomer and tetramer water clusters adsorbed on Ru(0001) Nakamura M, Ito M
299 - 307	IR-UV ion-dip spectroscopy of N-phenyl formamide, and its hydrated clusters Robertson EG
308 - 316	Surface states in molecular chains with strong mixing of Frenkel and charge-transfer excitons Agranovich VM, Schmidt K, Leo K
317 - 321	Comment on "Assessment of exchange correlation functionals" [A.J. Cohen, N.C. Handy, Chem. Phys. Lett. 316 (2000) 160-166] Ahlrichs R, Furche F, Grimme S