Journal of Chemical Physics

Journal of Chemical Physics, Vol.115, No.14 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (63 articles)

6277 - 6280	Ion imaging measurement of collision-induced rotational alignment in Ar-NO scattering Cline JI, Lorenz KT, Wade EA, Barr JW, Chandler DW
6281 - 6284	Pump-probe polarization anisotropy study of doubly degenerate electronic reorientation in silicon naphthalocyanine Ferro AA, Jonas DM
6285 - 6288	On the generalized bulk viscosity behavior Bertolini D, Tani A
6289 - 6292	On the calculation of entropy from covariance matrices of the atomic fluctuations Andricioaei I, Karplus M
6293 - 6299	Time-dependent Hartree-Fock schemes for analytical evaluation of the Raman intensities Quinet O, Champagne B
6300 - 6308	Ground- and excited-state cusp conditions for the electron density Nagy A, Sen KD
6309 - 6316	Quantum relaxation dynamics using Bohmian trajectories Maddox JB, Bittner ER
6317 - 6326	Generalized Filinov transformation of the semiclassical initial value representation Wang HB, Manolopoulos DE, Miller WH
6327 - 6329	Heats of formation of CCl and CCl2 from ab initio quantum chemistry Dixon DA, Peterson KA
6330 - 6341	A comprehensive thermodynamic theory of the Soret effect in a multicomponent gas, liquid, or solid Kempers LJTM
6342 - 6350	A comprehensive thermodynamic theory of the cross-effect in isothermal diffusion ("Hertz effect") in a multicomponent gas, liquid, or solid Kempers LJTM
6351 - 6359	Estimate of the cutoff errors in the Ewald summation for dipolar systems Wang ZW, Holm C
6360 - 6364	Intrinsic bond strengths of multiple gallium-gallium bonds: A compliance matrix study using multiconfiguration self-consistent field wave functions and hybrid density functionals Grunenberg J
6365 - 6372	Potential energy curves and dipole transition moments for electronic states of ArHe and HeNe Petsalakis ID, Theodorakopoulos G, Liebermann HP, Buenker RJ
6373 - 6375	Deprotonation energy of HO2: Basis set limit energies Francisco JS
6376 - 6384	Structure and dynamics of I-2(-)(N2O)(n): Monte Carlo and molecular dynamics simulations Cho E, Shin S
6385 - 6393	Spin-orbit branching in the collision-induced dissociation reaction of He(S-1(0))+HF(X-1 Sigma(+)(0))-> He(S-1(0))+H(S-2(1/2))+F(P-2(3/2,1/2)) Takayanagi T, Wada A
6394 - 6400	Rotationally resolved infrared spectrum of the Br--D-2 anion complex Wild DA, Weiser PS, Bieske EJ
6401 - 6405	Ring closure in dioxin formation process: An ab initio molecular dynamics study Farajian AA, Mikami M, Ordejon P, Tanabe K
6406 - 6417	Hydrogen bonding and collective proton modes in clusters and periodic layers of squaric acid: A density functional study Rovira C, Novoa JJ, Ballone P
6418 - 6425	Dynamics of vibrationally mediated photodissociation of CH3CFCl2 Einfeld T, Maul C, Gericke KH, Marom R, Rosenwaks S, Bar I
6426 - 6437	Detailed study of pyridine at the C1s and N1s ionization thresholds: The influence of the vibrational fine structure Kolczewski C, Puttner R, Plashkevych O, Agren H, Staemmler V, Martins M, Snell G, Schlachter AS, Sant'Anna M, Kaindl G, Pettersson LGM
6438 - 6449	Dipole-allowed excited states of N-2: Potential energy curves, vibrational analysis, and absorption intensities Spelsberg D, Meyer W
6450 - 6458	Split operator method for the nonadiabatic (J=0) bound states and (A <- X) absorption spectrum of NO2 Serov VN, Sovkov VB, Ivanov VS, Atabek O
6459 - 6470	Rotational spectroscopy of 10 (XIIi)-I-2 Miller CE, Cohen EA
6471 - 6488	Potential energy curves and transport properties for the interaction of He with other ground-state atoms Partridge H, Stallcop JR, Levin E
6489 - 6494	Temporary anion states of selected amino acids Aflatooni K, Hitt B, Gallup GA, Burrow FD
6495 - 6503	Rate coefficients for the reactions of Si(P-3(J)) with C2H2 and C2H4: Experimental results down to 15 K Canosa A, Le Picard SD, Gougeon S, Rebrion-Rowe C, Travers D, Rowe BR
6504 - 6512	Investigation of the Ne-NH3 van der Waals complex: Rotational spectrum and ab initio calculations van Wijngaarden J, Jager W
6513 - 6521	Observation of CH4 (v(2)=1 or v(4)=1) in the reaction Cl+CH4 with time-resolved Fourier-transform infrared absorption spectroscopy Chen YJ, Chu LK, Lin SR, Lee YP
6522 - 6530	Specific rate constants k(E, J) for the dissociation of NO2. I. Time-resolved study of rotational dependencies Abel B, Kirmse B, Troe J, Schwarzer D
6531 - 6537	Specific rate constants k(E, J) for the dissociation of NO2. II. Linewidths of rotationally selected NO2 near to the dissociation threshold Abel B, Lange N, Troe J
6538 - 6549	Freezing of hard spheres in confinement Kegel WK
6550 - 6556	Reaction path for hydrogen adsorption and desorption on Si(100)-(2X1) Tok ES, Kang HC
6557 - 6568	The asymptotic decay of pair correlations in the path-integral quantum hard-sphere fluid Bailey LE, Sese LM
6569 - 6577	H-bonding in amorphous acetamide CH3CONH2 as studied by x-ray scattering Nasr S
6578 - 6589	Polarization interactions and boroxol ring formation in boron oxide: A molecular dynamics study Maranas JK, Chen YZ, Stillinger DK, Stillinger FH
6590 - 6595	Stochastic resonance with explicit internal signal Li QS, Zhu R
6596 - 6605	Structure and stability of endohedral fullerene Sc3N@C-80: A Raman, infrared, and theoretical analysis Krause M, Kuzmany H, Georgi P, Dunsch L, Vietze K, Seifert G
6606 - 6622	Two-dimensional Fourier transform electronic spectroscopy Hybl JD, Ferro AA, Jonas DM
6623 - 6631	Corresponding states law and molecular dynamics simulations of the Lennard-Jones fluid Dunikov DO, Malyshenko SP, Zhakhovskii VV
6632 - 6640	Temperature evolution of the translational density of states of liquid water De Santis A, Ercoli A, Rocca D
6641 - 6652	Multidensity integral equation theory for a sticky hard sphere-hard sphere heteronuclear dimer fluid: Thermodynamic and structural properties Wu N, Chiew YC
6653 - 6662	Integral equations for molecular fluids based on the interaction site model: Density-functional formulation Sumi T, Imai T, Hirata F
6663 - 6671	Interpretation of the molten BeF2 viscosity anomaly in terms of a high temperature density maximum, and other waterlike features Hemmati M, Moynihan CT, Angell CA
6672 - 6678	Following transformation in self-assembled alkanethiol monolayers on Au(111) by in situ scanning tunneling microscopy Vericat C, Andreasen G, Vela ME, Martin H, Salvarezza RC
6679 - 6690	Classical interatomic potentials for Si-O-F and Si-O-Cl systems Ohta H, Hamaguchi S
6691 - 6698	Optimization of Xe adsorption kinetics in single walled carbon nanotubes Kuznetsova A, Yates JT, Simonyan VV, Johnson JK, Huffman CB, Smalley RE
6699 - 6706	Distribution kinetics theory of Ostwald ripening Madras G, McCoy BJ
6707 - 6715	Application of classical models of chirality to surface second harmonic generation Hache F, Mesnil H, Schanne-Klein MC
6716 - 6721	The charge of glass and silica surfaces Behrens SH, Grier DG
6722 - 6727	Specular x-ray reflectivity study of ordering in self-assembled organic and hybrid organic-inorganic electro-optic multilayer films Evmenenko G, van der Boom ME, Kmetko J, Dugan SW, Marks TJ, Dutta P
6728 - 6736	Experimental and simulation studies on the transport of gaseous diatomic molecules in polycarbonate membranes Lopez-Gonzalez M, Saiz E, Guzman J, Riande E
6737 - 6751	Effects of conformational isomerism on the desorption kinetics of n-alkanes from graphite Paserba KR, Gellman AJ
6752 - 6759	Diameter control of single-walled carbon nanotubes using argon-helium mixture gases Farhat S, de La Chapelle ML, Loiseau A, Scott CD, Lefrant S, Journet C, Bernier P
6760 - 6765	Effect of field-dependent photogeneration on the rate of grating formation in photorefractive polymers Binks DJ, West DP
6766 - 6774	Analysis of the sign reversal of the second-order molecular polarizability in polymethineimine chains Jacquemin D, Beljonne D, Champagne B, Geskin V, Bredas JL, Andre JM
6775 - 6779	Amphiphile-rich phase in a model ternary solution on the honeycomb lattice Huckaby DA, Pekalski A, Buzatu D, Buzatu FD
6780 - 6784	Third-order nonlinear optical properties of fractal- and nonfractal-structured oligomers modeled after dendron parts in Cayley-tree-type dendrimers Nakano M, Fujita H, Takahata M, Yamaguchi K
6785 - 6793	Dynamics of inhomogeneous cross-linked polymers consisting of domains of different sizes Gurtovenko AA, Gotlib YY
6794 - 6795	Comment on "High order finite difference algorithms for solving the Schrodinger equation in molecular dynamics" [J. Chem. Phys. 111, 10827 (1999)] Mazziotti DA
6796 - 6797	Response to "Comment on 'High order finite difference algorithms for solving the Schrodinger equation in molecular dynamics' " Guantes R, Farantos SC
6798 - 6798	Microcalorimetric measurements of the heat of adsorption of Pb on well-defined oxides: MgO(100) and p(2X1)-oxide on Mo(100) (vol 114, pg 3752, 2001) Starr DE, Bald DJ, Musgrove JE, Ranney JT, Campbell CT