The Journal of Chemical Physics, 2001, V 114, N 7, February 15.


 
TE Size reassignments of the S_{1}-S_{0} vibronic spectra of benzene clusters
AU Toshifumi Iimori and Yasuhiro Ohshima
PP 2867-2870

TE A spectroscopic determination of the bond length of the LiOLi
molecule: Strong ionic bonding
AU D.Bellert and W.H.Breckenridge
PP 2871-2874

TE The second-order Moller-Plesset limit for the barrier to
linearity of water
AU Edward F.Valeev, Wesley D.Allen, Henry F.Schaefer III, and Attila G.Csaszar
PP 2875-2878

TE CASSCF and MRCI studies of the electronic excited states of
CH_{2}Cl and CH_{2}Br
AU Yumin Li and Joseph S.Francisco
PP 2879-2882

TE Correlation between elastic and inelastic atom scattering from
single adsorbed molecules
AU B.H.Choi, A.P.Graham, K.T.Tang, and J.P.Toennies
PP 2883-2886

ARTICLES

TE Spin-Hamiltonian and density functional theory descriptions of spin exchange interactions AU Dadi Dai and Myung-Hwan Whangbo PP 2887-2893 TE Electronically nonadiabatic trajectories: Continuous surface switching II AU Michael D.Hack and Donald G.Truhlar PP 2894-2902 TE Using the finite-difference time-domain pulse propagation method to simulate time-resolved THz experiments AU Matthew C.Beard and Charles A.Schmuttenmaer PP 2903-2909 TE A computational method to discover the existence of promoting vibrations for chemical reactions in condensed phases AU Stavros Caratzoulas and Steven D.Schwartz PP 2910-2918 TE A redundant internal coordinate algorithm for optimization of periodic systems AU Konstantin N.Kudin, Gustavo E.Scuseria, and H.Bernhard Schlegel PP 2919-2923 TE Generalized solvent boundary potential for computer simulations AU Wonpil Im, Simon Berneche, and Benoit Roux PP 2924-2937 TE Electronic structure of the 4d transition metal carbides: Dispersed fluorescence spectroscopy of MoC, RuC, and PdC AU Ryan S.DaBell, Raymond G.Meyer, and Michael D.Morse PP 2938-2954 TE Decay pathways and dissociation energies of copper clusters, Cu_{n}^{+} (2 ABX+CD_{3} reaction in hyperspherical coordinates: Application to OH+CH_{4}sqrt -> H_{2}O+CH_{3} AU Hua-Gen Yu PP 2967-2976 TE Electronic structure of eka-lead (element 114) compared with lead AU Arie Landau, Ephraim Eliav, Yasuyuki Ishikawa, and Uzi Kaldor PP 2977-2980 TE Ultraviolet-visible photodissociation spectra of V_{n}^{+}Xe (n=5-8) cluster complex cations AU J.M.Antonietti, A.Chatelain, and S.Fedrigo PP 2981-2985 TE Energy transfer, scattering and dissociation in ion atom collisions: CO_{2}^{+}/Ar AU Ronald E.Tosh, Anil K.Shukla, and Jean H.Futrell PP 2986-2992 TE Equilibrium geometries of cyclic SiC_{3} isomers AU John F.Stanton, Juergen Gauss, and Ove Christiansen PP 2993-2995 TE The effects of dispersive C_{n}/R^{n}-attraction on M^{+}/Rg bonding (M^{+}=atomic metal ion, Rg=rare gas atom) AU Katherine L.Burns, D.Bellert, Allen W.-K.Leung, and W.H.Breckenridge PP 2996-3002 TE Nonadiabatic effects in the lowest 0^{+}(^{3}P) ion-pair states of CIF AU Daria B.Kokh, Yan Li, Robert J.Buenker, Aleksey B.Alekseyev, Heinz-Peter Liebermann, and Vadim A.Alekseev PP 3003-3009 TE Structure, properties, and photodissociation of O_{4}^{-} AU Adelia J.A.Aquino, Peter R.Taylor, and Stephen P.Walch PP 3010-3017 TE Multiphoton ionization photoelectron spectroscopy of acetaldehyde via the A~ ^{1}A", B~, C~, and D~ states AU Ho-Tae Kim and Scott L.Anderson PP 3018-3028 TE Non-Gaussian dynamics of a dilute hard-sphere gas AU T.Yamaguchi and Y.Kimura PP 3029-3034 TE High-resolution laser spectroscopy of LiAr: Spectroscopic parameters and interaction potentials of the A ^{2}PI and the B ^{2}SIGMA states AU Ruediger Bruehl and Dieter Zimmermann PP 3035-3045 TE Tuning the scattering length on the ground triplet state of Cs_{2} AU V.Kokoouline, J.Vala, and R.Kosloff PP 3046-3050 TE First experimental observation on different ionic states of the CH_{3}SS radical: A HeI photoelectron spectrum AU Ge Maofa, Wang Jing, Sun Zheng, Zhu Xinjiang, and Wang Dianxun PP 3051-3054 TE Coupled-cluster characterization of the ground and excited states of the CH_{2}N and CH_{2}P radicals AU Nicole R.Brinkmann, Steven S.Wesolowski, and Henry F.Schaefer III PP 3055-3064 TE Excitation energy transfer in condensed media AU Chao-Ping Hsu, Graham R.Fleming, Martin Head-Gordon, and Teresa Head-Gordon PP 3065-3072 TE Population and coherence transfer in half-integer quadrupolar spin systems induced by simultaneous rapid passages of the satellite transitions: A static and spinning single crystal nuclear magnetic resonance study AU Hartmut Schaefer, Dinu Iuga, Rieko Verhagen, and Arno P.M.Kentgens PP 3073-3091 TE Effects of pressure on the trapping site structures and absorption spectra of Li in solid H_{2}: A path integral Monte Carlo study AU Y.M.Ma, T.Cui, and G.T.Zou PP 3092-3104 TE Role of the cavity field in nonlinear optical response in the condensed phase AU R.W.Munn, Yi Luo, P.Macak, and H.Agren PP 3105-3108 TE Noisy chemical equilibria and flow reactor's yield AU A.Fulinski PP 3109-3119 TE Hydration of Li^{+} ion. An ab initio molecular dynamics simulation AU A.P.Lyubartsev, K.Laasonen, and A.Laaksonen PP 3120-3126 TE Nonperturbative theory of multiphonon anharmonic transitions AU V.Hizhnyakov and H.Kaasik PP 3127-3132 TE Crossover criticality in ionic solutions AU K.Gutkowski, M.A.Anisimov, and J.V.Sengers PP 3133-3148 TE Two-color fluorescence correlation spectroscopy of one chromophore: Application to the E222Q mutant of the green fluorescent protein AU G.Jung, C.Braeuchle, and A.Zumbusch PP 3149-3156 TE Mixture model description of the T-, P dependence of the refractive index of water AU C.H.Cho, J.Urquidi, Gregory I.Gellene, and G.Wilse Robinson PP 3157-3162 TE Localization of helium at an aromatic molecule in superfluid helium clusters AU Yongkyung Kwon and K.Birgitta Whaley PP 3163-3169 TE Nucleation of a noncritical phase in a fluid near a critical point AU Richard P.Sear PP 3170-3173 TE Isotope effect on the translational and rotational motion in liquid water and ammonia AU Edme H.Hardy, Astrid Zygar, Manfred D.Zeidler, Manfred Holz, and Frank D.Sacher PP 3174-3181 TE Vibrational dynamics of the C-O stretch vibration in alcohols AU M.A.F.H.van den Broek, H.-K.Nienhuys, and H.J.Bakker PP 3182-3186 TE Structure of liquid ethylene glycol: A molecular dynamics simulation study with different force fields AU L.Saiz, J.A.Padro, and E.Guardia PP 3187-3199 TE Yb^{3+} distribution in LiNbO_{3}:(MgO) studied by cooperative luminescence AU E.Montoya, L.E.Bausa, B.Schaudel, and P.Goldner PP 3200-3207 TE Simulating the dynamic strength of molecular interactions AU Eoin Galligan, Clive J.Roberts, Martyn C.Davies, Saul J.B.Tendler, and Philip M.Williams PP 3208-3214 TE Adsorption of atomic oxygen on GaAs(001)-(2x4) and the resulting surface structures AU S.I.Yi, P.Kruse, M.Hale, and A.C.Kummel PP 3215-3223 TE Normal and defective perylene substitution sites in alkane crystals AU Epameinondas Leontidis, Hendrik Heinz, Krystyna Palewska, Ernst-Udo Wallenborn, and Ulrich W.Suter PP 3224-3235 TE Vibrational density of states of selenium through the glass transition AU D.Caprion and H.R.Schober PP 3236-3242 TE Conductivity spectra of sodium fluorozirconate glasses AU A.Ghosh and M.Sural PP 3243-3247 TE Ab initio molecular dynamics simulation of the Cu(110)-water interface AU Sergei Izvekov, Alain Mazzolo, Kirk VanOpdorp, and Gregory A.Voth PP 3248-3257 TE Morphology of porous media studied by nuclear magnetic resonance line shapes and spin-echo decays AU S.G.Allen, M.J.D.Mallett, and J.H.Strange PP 3258-3264 TE Thermal effects on charge transfer in atom-surface scattering AU Frank O.Goodman and Kenneth W.Sulston PP 3265-3270 TE Discrete aqueous solvent effects and possible attractive forces AU Y.Burak and D.Andelman PP 3271-3283 TE Stability of the high-spin ground state in the Peierls-extended Hubbard model AU Zhongbing Huang and Hai-Qing Lin PP 3284-3292 TE Electron and ion stimulated desorption of positive ions from SF_{6} adsorbed on a Ta surface AU Ryutaro Souda PP 3293-3298 TE Influence of counterion valency on the scattering properties of highly charged polyelectrolyte solutions AU Yubao Zhang, Jack F.Douglas, Brett D.Ermi, and Eric J.Amis PP 3299-3313 TE The nematic-isotropic phase transition in semiflexible fused hard-sphere chain fluids AU K.M.Jaffer, S.B.Opps, D.E.Sullivan, B.G.Nickel, and L.Mederos PP 3314-3324 TE Entropy driven unidirectional motion of Brownian particle inside a three-dimensional tube AU Sheh-Yi Sheu and Dah-Yen Yang PP 3325-3329 TE Zero-field mobility, exact mean dwell times, and disorder-induced steps in a Gaussian energy distribution AU Z.G.Soos and J.M.Sin PP 3330-3338
LETTERS TO THE EDITOR

TE Comment on "The viscoelastic response of Brownian suspensions" [J. Chem. Phys. 111, 8708 (1999)] AU B.U.Felderhof PP 3339-3340 TE Response to "Comment on `The viscoelastic response of Brownian suspensions'" [J. Chem. Phys. 114, 3339 (2001)] AU C.P.Lowe and A.J.Masters PP 3341-3342 TE Erratum: "Structures, energies, vibrational spectra, and electronic properties of water monomer to decamer" [J. Chem. Phys., v.112, 9759 (2000)] AU Han Myoung Lee, Seung Bum Suh, Jin Young Lee, P.Tarakeshwar, and Kwang S.Kim PP 3343 TE Erratum: "Intramolecular vibrational redistribution in aromatic molecules. I. Eigenstate resolved CH stretch first overtone spectra of benzene" [J. Chem. Phys., v.113, 10583 (2000)] AU A.Callegari, U.Merker, P.Engels, H.K.Srivastava, K.K.Lehmann, and G.Scoles PP 3344