Journal of Chemical Physics

Journal of Chemical Physics, Vol.108, No.24 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (40 articles)

9959 - 9969	Investigation of a grid-free density functional theory (DFT) approach Glaesemann KR, Gordon MS
9970 - 9977	Multidimensional harmonic inversion by filter-diagonalization Mandelshtam VA, Taylor HS
9978 - 9986	Removing resonance effects from quantum mechanical vibrational partition functions obtained from perturbation theory Isaacson AD
9987 - 9998	Classical trajectory and statistical adiabatic channel study of the dynamics of capture and unimolecular bond fission. V. Valence interactions between two linear rotors Maergoiz AI, Nikitin EE, Troe J, Ushakov VG
9999 - 10007	Harmonic inversion of time cross-correlation functions: The optimal way to perform quantum or semiclassical dynamics calculations Mandelshtam VA
10008 - 10012	Simple finite field method for calculation of static and dynamic vibrational hyperpolarizabilities: Curvature contributions Kirtman B, Luis JM, Bishop DM
10013 - 10017	Additional compact formulas for vibrational dynamic dipole polarizabilities and hyperpolarizabilities Bishop DM, Luis JM, Kirtman B
10018 - 10026	Photoelectron spectra of the C2nH- (n=1-4) and C2nD- (n=1-3) anions Taylor TR, Xu CS, Neumark DM
10027 - 10032	Correction of repulsive potential energy surface for photodissociation of H2O in the (A)over-tilde state Wang DY, Zhang JZH
10033 - 10045	Very high resolution spectroscopy of high Rydberg states of the argon atom Merkt F, Schmutz H
10046 - 10060	Infrared photodissociation spectra of CH3+-Ar-n complexes (n = 1-8) Olkhov RV, Nizkorodov SA, Dopfer O
10061 - 10069	Photodissociation dynamics of OClO at 157 nm Lin JJ, Hwang DW, Lee YT, Yang XM
10070 - 10077	Spin-polarization in HBr: Comparison between theory and experiment Irrgang R, Drescher M, Spieweck M, Heinzmann U, Cherepkov NA, Lefebvre-Brion H
10078 - 10083	Theoretical assignments of the photo-dissociation excitation spectra of Mg+ ion complexes with water clusters: Multi-reference Cl studies Watanabe H, Iwata S
10084 - 10095	The exact quantum mechanical kinetic energy operator in internal coordinates for vibration of a hexatomic molecule Rempe SB, Watts RO
10096 - 10115	HF dimer: Empirically refined analytical potential energy and dipole hypersurfaces from ab initio calculations Klopper W, Quack M, Suhm MA
10116 - 10128	Out-of-plane vibrations of NH2 in 2-aminopyrimidine and formamide McCarthy WJ, Lapinski L, Nowak MJ, Adamowicz L
10129 - 10142	Laser-induced emission spectroscopy of matrix-isolated carbon molecules: Experimental setup and new results on C-3 Cermak I, Forderer M, Cermakova I, Kalhofer S, Stopka-Ebeler H, Monninger G, Kratschmer W
10143 - 10151	A comparative electron spin echo envelope modulation study of the primary electron acceptor quinone in Zn-substituted and cyanide-treated preparations of photosystem II Astashkin AV, Hara H, Kuroiwa S, Kawamori A, Akabori K
10152 - 10161	Molecular-dynamics simulation of collisional energy transfer from vibrationally highly excited azulene in compressed CO2 Heidelbach C, Fedchenia II, Schwarzer D, Schroeder J
10162 - 10174	Quantum effects in simulated water by the Feynman-Hibbs approach Guillot B, Guissani Y
10175 - 10180	Chemical association and electronic structure: A new theoretical approach Lomba E, Lopez-Martin JL, Holovko M
10181 - 10188	Analysis of absorption and luminescence spectra of U3+ doped Cs2NaYCl6 and Cs2LiYCl6 single crystals Karbowiak M, Drozdzynski J, Hubert S, Simoni E, Strek W
10189 - 10196	Evidence of pure L-1(b) fluorescence from redshifted indole-polar solvent complexes in a supersonic jet Short KW, Callis PR
10197 - 10204	Brillouin spectra and vibrational-translational energy exchange in liquid acetonitrile Sassi P, Paliani G, Cataliotti RS
10205 - 10208	Interfacial properties of water in an extended van der Waals theory Muhlbacher L
10209 - 10219	Evaluation of the many-body contributions to the interionic interactions in MgO Rowley AJ, Jemmer P, Wilson M, Madden PA
10220 - 10230	A systematic study of water models for molecular simulation: Derivation of water models optimized for use with a reaction field van der Spoel D, van Maaren PJ, Berendsen HJC
10231 - 10238	Hot-atom mechanism in photodesorption of molecular oxygen from a stepped platinum (113) surface Sano M, Ohno Y, Yamanaka T, Matsushima T, Quinay EB, Jacobi K
10239 - 10247	A comparative study of the scattering of highly energetic atomic and molecular beams from metallic surfaces Bertino MF, Manson JR, Silvestri W
10248 - 10255	Optical control over two-dimensional lattice vibrational trajectories in crystalline quartz Wefers MM, Kawashima H, Nelson KA
10256 - 10261	Preparation and magnetic properties of manganese(II) phthalocyanine thin films Yamada H, Shimada T, Koma A
10262 - 10273	Collisional energy loss in cluster surface impact: Experimental, model, and simulation studies of some relevant factors Christen W, Even U, Raz T, Levine RD
10274 - 10280	A comparison of quasi-harmonic lattice dynamics and Monte Carlo simulation of polymeric crystals using orthorhombic polyethylene Rutledge GC, Lacks DJ, Martonak R, Binder K
10281 - 10293	Self-assembly of neutral and ionic surfactants: An off-lattice Monte Carlo approach Bhattacharya A, Mahanti SD, Chakrabarti A
10294 - 10302	Liquid crystalline phase behavior in systems of hard-sphere chains Williamson DC, Jackson G
10303 - 10308	Calculations of phase transition of polydiacetylenes using localized molecular orbitals by elongation method Kurihara Y, Aoki Y, Imamura A
10309 - 10318	Fast structural relaxation of polyvinyl alcohol below the glass-transition temperature Murakami H, Kushida T, Tashiro H
10319 - 10326	Fine structure relaxation of aluminum by atomic argon between 30 and 300 K: An experimental and theoretical study Le Picard SD, Bussery-Honvault B, Rebrion-Rowe C, Honvault P, Canosa A, Launay JM, Rowe BR
10327 - 10327	Molecular beam optical Stark spectroscopy of MoN (vol 99, pg 901, 1993) Fletcher DA, Jung KY, Steimle TC