Journal of Chemical Physics

Journal of Chemical Physics, Vol.114, No.20 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (54 articles)

8733 - 8736	Branching ratio in the HD plus OH reaction: A full-dimensional quantum dynamics study on a new ab initio potential energy surface Zhang DH, Yang MH, Lee SY
8737 - 8740	Nonequilibrium tube length fluctuations of entangled polymers Schutz GM, Santos JE
8741 - 8751	Wave packet methods for charge exchange processes in ion-atom collisions Baloitcha E, Desouter-Lecomte M, Bacchus-Montabonel MC, Vaeck N
8752 - 8762	A general-purpose biasing scheme for Monte Carlo simulation of associating fluids Wierzchowski S, Kofke DA
8763 - 8768	Extending the vibrational self-consistent method: Using a partially separable wave function for calculating anharmonic vibrational states of polyatomic molecules Wright NJ, Gerber RB
8769 - 8774	Fluctuations and thermodynamics properties of the constant shear strain ensemble Zhou Z
8775 - 8783	Intermolecular exchange-induction and charge transfer: Derivation of approximate formulas using nonorthogonal localized molecular orbitals Jensen JH
8784 - 8788	Atomic shell structure in Hartree theory Sahni V, Qian ZX, Sen KD
8789 - 8795	Molecular excitation energies computed with Kohn-Sham orbitals and exact exchange potentials Veseth L
8796 - 8819	Quantum reactive scattering calculations for the H+D-2 -> HD+D reaction Kendrick BK
8820 - 8830	Transferring vibrational population between electronic states of diatomic molecules via light-induced-potential shaping Chang BY, Sola IR, Santamaria J, Malinovsky VS, Krause JL
8831 - 8835	Measurement of the autodetachment lifetime of SF6-* as a function of electron energy in a free jet expansion Le Garrec JL, Steinhurst DA, Smith MA
8836 - 8843	Intermolecular potential for the interaction of helium with ammonia Hodges MP, Wheatley RJ
8844 - 8854	The (n00), n=3, 4, and 6, local mode states of H3SiD: Fourier transform infrared and laser photoacoustic spectra and ab initio calculations of spectroscopic parameters Burger H, Lecoutre M, Huet TR, Breidung J, Thiel W, Hanninen V, Halonen L
8855 - 8866	Spectroscopy and MRCl calculations on CrF and CrCl Koivisto R, Launila O, Schimmelpfennig B, Simard B, Wahlgren U
8867 - 8876	Quantum optimal control of multiple targets: Development of a monotonically convergent algorithm and application to intramolecular vibrational energy redistribution control Ohtsuki Y, Nakagami K, Fujimura Y, Zhu WS, Rabitz H
8877 - 8879	Gas phase dihydrogen bonded phenol-borane-trimethylamine complex Patwari GN, Ebata T, Mikami N
8880 - 8896	Quasi-classical treatment of the Stereodynamics of chemical reactions: k-r-k ' vector correlation for the Li+HF(v=1,j=1)-> LiF+H reaction Aoiz FJ, Martinez MT, Rabanos VS
8897 - 8904	Glyoxal photodissociation. An ab initio direct classical trajectory study of C2H2O2 -> H-2+2 CO Li XS, Millam JM, Schlegel HB
8905 - 8912	Band strengths for C-H stretching polyads of CHBr3 calculated by use of a two-dimensional electric dipole moment surface from density functional theory Lin H, Yuan LF, He SG, Wang XG
8913 - 8925	Electronic spectroscopy of the alkaline-earth halide cluster Ca2Cl3 Lobo JD, Deev A, Wong CK, Spotts JM, Okumura M
8926 - 8931	High resolution resonance enhanced two photon ionization spectroscopy of RbCs in a cold molecular beam Yoon Y, Lee Y, Kim T, Ahn JS, Jung Y, Kim B, Lee S
8932 - 8937	Electron transport, ionization, and attachment coefficients in C2F4 and C2F4/Ar mixtures Goyette AN, de Urquijo J, Wang YC, Christophorou LG, Olthoff JK
8938 - 8947	Experimental and theoretical investigation of the rotational structure of the Al-H-2/D-2 complex Tan XF, Dagdigian PJ, Williams J, Alexander MH
8948 - 8963	Spectra of N-2-HF from symmetry-adapted perturbation theory potential Jankowski P, Tsang SN, Klemperer W, Szalewicz K
8964 - 8970	Production of HCO from propenal photolyzed at 193 nm: Relaxation of excited states and distribution of internal states of fragment HCO Kao YT, Chen WC, Yu CH, Chen IC
8971 - 8989	Investigation of the structure, stability, and ionization dynamics of zirconium oxide clusters Foltin M, Stueber GJ, Bernstein ER
8990 - 8999	Theoretical study on the outer- and inner-valence ionization spectra of H2O, H2S and H2Se using the SAC-Cl general-R method Ehara M, Ishida M, Nakatsuji H
9000 - 9011	Photodissociation and photoisomerization pathways of the HNCN free radical Bise RT, Hoops AA, Neumark DM
9012 - 9019	The ground state of silylidene (H2C=Si), the silicon analog of vinylidene, from stimulated emission pumping and wavelength-resolved fluorescence spectroscopy Smith TC, Li HY, Clouthier DJ
9020 - 9027	State-resolved translation energy distributions for NCO photodissociation Hoops AA, Bise RT, Gascooke JR, Neumark DM
9028 - 9032	Quantum Monte Carlo characterization of small Cu-doped silicon clusters: CuSi4 and CuSi6 Ovcharenko IV, Lester WA, Xiao C, Hagelberg F
9033 - 9039	Evidence for the onset of three-body decay in photodissociation of vibrationally excited CHFCl2 Chen XL, Marom R, Rosenwaks S, Bar I, Einfeld T, Maul C, Gericke KH
9040 - 9047	Solvent nuclear quantum effects in electron transfer reactions. II. Molecular dynamics study on methanol solution Ando K
9048 - 9058	Supercooling in a two-dimensional Lennard-Jones mixture Sim E, Patashinski AZ, Ratner MA
9059 - 9068	Density functional theory of the kinetics of crystallization of a hard sphere suspension: Coupling structure to density Wild R, Harrowell P
9069 - 9074	Configurational entropy and diffusion in a hard disc fluid Speedy RJ
9075 - 9082	Monte Carlo simulations of symmetric and asymmetric angular model liquids Calero S, Garzon B, Mejias JA, Lago S
9083 - 9098	Modeling anisotropic chemical wave patterns in the NO+H-2 reaction on a Rh(110) surface Makeev A, Hinz M, Imbihl R
9099 - 9104	Raman modes of the two-dimensional tetragonal polymeric phase of C-60 under high pressure Arvanitidis J, Meletov KP, Papagelis K, Ves S, Kourouklis GA, Soldatov A, Prassides K
9105 - 9114	Non-Lorentzian zero-phonon holes and new insights on nonphotochemical hole burning: Al-phthalocyanine in hyperquenched glassy water Reinot T, Small GJ
9115 - 9119	Pattern formation induced by co-deposition of Ni and C-60 on MgO(100) Vacik J, Naramoto H, Narumi K, Yamamoto S, Miyashita K
9120 - 9124	The behavior of diffusion eigenmodes in the presence of internal magnetic field in porous media Lisitza NV, Song YQ
9125 - 9129	Study with density functional theory method on methane dehydro-aromatization over Mo/HZSM-5 catalysts I: Optimization of active Mo species bonded to ZSM-5 zeolite Zhou DH, Ma D, Liu XC, Bao XH
9130 - 9141	A crystalline orbital study of polydiacetylenes Tobita M, Hirata S, Bartlett RJ
9142 - 9155	Dynamical heterogeneity in a dense quasi-two-dimensional colloidal liquid Cui BX, Lin BH, Rice SA
9156 - 9162	Polymer motions from localization to Rouse dynamics in supercooled melts Ilan B, Loring RF
9163 - 9169	Polymer chain dynamics in dilute solution under Couette flow. II. High molecular weight poly(alpha-methylstyrene) in good solvent Tsunashima Y
9170 - 9178	Nonexponentiality of time dependent survival probability and the fractional viscosity dependence of the rate in diffusion controlled reactions in a polymer chain Srinivas G, Yethiraj A, Bagchi B
9179 - 9183	Solvent effects on heteropolymer adsorption and freezing Srebnik S
9184 - 9191	Ribonucleic acid folder: The earliest moves of a good structure seeker Fernandez A, Appignanesi G
9192 - 9192	Nuclear spin-spin coupling in the acetylene isotopomers calculated from ab initio correlated surfaces for (1)J(C, H), (1)J(C, C), (2)J(C, H), and (3)J(H, H) (vol 112, pg 3735, 2000) Wigglesworth RD, Raynes WT, Kirpekar S, Oddershede J, Sauer SPA
9193 - 9193	Unexpected differential sensitivity of nuclear spin-spin-coupling constants to bond stretching in BH4-, NH4+, and SiH4 (vol 112, pg 3121, 2000) Sauer SPA, Raynes WT
9194 - 9194	A generalized electron-pair density function for atoms (vol 114, pg 72, 2001) Koga T