The Journal of Chemical Physics, 2002, V 116, N 6, February 8.

TE An accurate MGGA-based hybrid exchange-correlation functional
AU Jianmin Tao
PP 2335-2337

TE Fractional dynamics approach to diffusion-assisted reactions in
disordered media
AU Jaeyoung Sung, Eli Barkai, Robert J.Silbey, and Sangyoub Lee
PP 2338-2341

TE New mechanism of membrane fusion
AU M.Mueller, K.Katsov, and M.Schick
PP 2342-2345


TE Surface-hopping dynamics of a spin-boson system AU Donal Mac Kernan, Giovanni Ciccotti, and Raymond Kapral PP 2346-2353 TE Efficient time-independent wave packet scattering calculations within a Lanczos subspace: H+O_{2} (J=0) state-to-state reaction probabilities AU Hong Zhang and Sean C.Smith PP 2354-2360 TE Use of thermodynamic integration to calculate the hydration free energies of n-alkanes AU J.T.Wescott, L.R.Fisher, and S.Hanna PP 2361-2369 TE Bend-stretch Fermi resonance in DCO^{+} AU Jason D.Robinson, Robert J.Foltynowicz, Krista Prentice, Patrice Bell, and Edward R.Grant PP 2370-2378 TE Microwave rotational spectra of the Ar_{3}-NH_{3} van der Waals tetramer AU Jennifer van Wijngaarden and Wolfgang Jaeger PP 2379-2387 TE Quantum dynamics of the D_{2}+OH reaction AU Dong H.Zhang, Minghui Yang, and Soo-Y.Lee PP 2388-2394 TE The intermolecular potential energy surface of the He-NO^{+} cationic complex AU Pavel Soldan, Edmond P.F.Lee, and Timothy G.Wright PP 2395-2399 TE Infrared resonance-enhanced multiphoton ionization spectroscopy of magnesium oxide clusters AU D.van Heijnsbergen, G.von Helden, G.Meijer, and M.A.Duncan PP 2400-2406 TE The molecular properties of chlorosyl fluoride, FClO, as determined from the ground-state rotational spectrum AU Holger S.P.Mueller and Edward A.Cohen PP 2407-2416 TE Hydrogen bonding and protonation in acid-base complexes: Methanesulfonic acid-pyridine AU Olli Lehtonen, Juha Hartikainen, Kari Rissanen, Olli Ikkala, and Lars-Olof- Pietilae PP 2417-2424 TE Electronic excitation spectra of Cl_{2}O, ClOOCl, and F_{2}O: A SAC-CI study AU P.Tomasello, M.Ehara, and H.Nakatsuji PP 2425-2432 TE Control of molecular handedness using pump-dump laser pulses AU Kunihito Hoki, Leticia Gonzalez, and Yuichi Fujimura PP 2433-2438 TE Nonadiabatic quantum reactive scattering calculations for the O(^{1}D)+H_{2}, D_{2}, and HD reactions on the lowest three potential energy surfaces AU Toshiyuki Takayanagi PP 2439-2446 TE Quantum beats in the S_{1} dynamics of glyoxal AU Chushuan Chang and I-Chia Chen PP 2447-2455 TE Isotope effects in the electron impact ionization of H_{2}/D_{2}, H_{2}O/D_{2}O, and C_{6}H_{6}/C_{6}D_{6} near threshold AU G.Hanel, B.Gstir, T.Fiegele, F.Hagelberg, K.Becker, P.Scheier, A.Snegursky, and T.D.Maerk PP 2456-2463 TE Residual dipolar coupling in the CP/MAS nuclear magnetic resonance spectra of spin-1/2 nuclei coupled to quadrupolar nuclei application of floquet theory AU H.Kampermann, Alex D.Bain, and R.S.Dumont PP 2464-2471 TE Viscosity dependence of geminate recombination efficiency after bimolecular charge separation AU A.A.Neufeld, A.I.Burshtein, G.Angulo, and G.Grampp PP 2472-2479 TE Enthalpy and entropy contributions to the pressure dependence of hydrophobic interactions AU Tuhin Ghosh, Angel E.Garcia, and Shekhar Garde PP 2480-2486 TE Solving integral equations for binary and ternary systems AU Mohammad Nader Lotfollahi and Hamid Modarress PP 2487-2492 TE Optimization of data acquisition and processing in Carr-Purcell-Meiboom-Gill multiple quantum magic angle spinning nuclear magnetic resonance AU R.Lefort, J.W.Wiench, M.Pruski, and J.-P.Amoureux PP 2493-2501 TE Translational diffusion and reorientational relaxation of water analyzed by site-site generalized Langevin theory AU T.Yamaguchi, S.-H.Chong, and F.Hirata PP 2502-2507 TE HKrF in solid krypton AU Mika Pettersson, Leonid Khriachtchev, Antti Lignell, Markku Raesaenen, Z.Bihary, and R.B.Gerber PP 2508-2515 TE Qualitative dynamics of generalized Langevin equations and the theory of chemical reaction rates AU Craig C.Martens PP 2516-2528 TE Transport coefficients at metastable densities from models of generalized hydrodynamics AU Sudha Srivastava and Shankar P.Das PP 2529-2535 TE Electronic energy dissipation in chloro-aluminum phthalocyanine/methanol system following nonlinear interaction with a train of picosecond pulses AU Tai-Huei Wei, Tzer-Hsiang Huang, and Jung-Kuang Hu PP 2536-2541 TE Vibronic effects on solvent dependent linear and nonlinear optical properties of push-pull chromophores: Julolidinemalononitrile AU Andrew M.Moran, Debra S.Egolf, Mireille Blanchard-Desce, and Anne Myers Kelley PP 2542-2555 TE Formation of nanoclusters under radiation pressure in solution: A Brownian dynamics simulation study AU Prasanth P.Jose and Biman Bagchi PP 2556-2564 TE Observations on an equation of state for water confined in narrow slit-pores AU Arjan Giaya and Robert W.Thompson PP 2565-2571 TE Simulation of proton transfer along ammonia wires: An "ab initio" and semiempirical density functional comparison of potentials and classical molecular dynamics AU Markus Meuwly and Martin Karplus PP 2572-2585 TE Transition events in butane simulations: Similarities across models AU Daniel M.Zuckerman and Thomas B.Woolf PP 2586-2591 TE Transient absorption of vibrationally excited water AU H.J.Bakker, H.-K.Nienhuys, G.Gallot, N.Lascoux, G.M.Gale, J.-C.Leicknam, and S.Bratos PP 2592-2598 TE Kinetic model for Eley-Rideal and hot atom reactions between H atoms on metal surfaces AU Bret Jackson, Xianwei Sha, and Ziya B.Guvenc PP 2599-2608 TE Selenium dimers and linear chains in one-dimensional cancrinite nanochannels: Structure, dynamics, and optical properties AU Vladimir V.Poborchii, Gottlieb-Georg Lindner, and Mitsuo Sato PP 2609-2617 TE Evaluation of the small-angle x-ray scattering of carbons using parametrization methods AU Bernd Smarsly, Markus Antonietti, and Thomas Wolff PP 2618-2627 TE Hydrogen defects in Forsterite: A test case for the embedded cluster method AU J.Spencer Braithwaite, Peter V.Sushko, Kate Wright, and C.Richard A.Catlow PP 2628-2635 TE Multifractal spectra and the relaxation of model polymer networks AU A.Blumen and A.Jurjiu PP 2636-2641 TE Collapse of Lennard-Jones homopolymers: Size effects and energy landscapes AU F.Calvo, J.P.K.Doye, and D.J.Wales PP 2642-2649 TE Thermodynamics and phase separation of a de-ionized colloidal system in the symmetric Poisson-Boltzmann and mean spherical approximation theories AU L.B.Bhuiyan and C.W.Outhwaite PP 2650-2657 TE Concentrated colloidal dispersions: On the relation of rheology with small angle x-ray and neutron scattering AU Heiner Versmold, Sameer Musa, and Axel Bierbaum PP 2658-2662

TE Molecular dynamics simulations of water wires in a lipid bilayer and water/octane model systems AU Richard M.Venable and Richard W.Pastor PP 2663-2664 TE Comment on "Anti-cooperativity in hydrophobic interactions: A simulation study of spatial dependence of three-body effects and beyond" [J. Chem. Phys., v.115, 1414 (2001)] AU Cezary Czaplewski, Sylwia Rodziewicz-Motowidlo, Adam Liwo, Daniel R.Ripoll, Ryszard J.Wawak, and Harold A.Scheraga PP 2665-2667 TE Reply to "Comment on `Anti-cooperativity in hydrophobic interactions: A simulation study of spatial dependence of three-body effects and beyond'" [J. Chem. Phys. 116, 2665 (2002)] AU Seishi Shimizu and Hue Sun Chan PP 2668-2669