The Journal of Chemical Physics, 2002, V 116, N 14, 8 April.

TE Photoelectron imaging spectroscopy of molecular and cluster
anions: CS_{2}^{-} and OCS^{-}(H_{2}O)_{1,2}
AU Eric Surber and Andrei Sanov
PP 5921-5924


TE A study of the semiclassical initial value representation at short times AU Joachim Ankerhold, Markus Saltzer, and Eli Pollak PP 5925-5932 TE Physically motivated density functionals with improved performances: The modified Perdew-Burke-Ernzerhof model AU Carlo Adamo and Vincenzo Barone PP 5933-5940 TE Intermittency, current flows, and short time diffusion in interacting finite sized one-dimensional fluids AU Subrata Pal, Goundla Srinivas, Sarika Bhattacharyya, and Biman Bagchi PP 5941-5950 TE An improved thermodynamic energy estimator for path integral simulations AU Kurt R.Glaesemann and Laurence E.Fried PP 5951-5955 TE Quadratic diffusion Monte Carlo and pure estimators for atoms AU A.Sarsa, J.Boronat, and J.Casulleras PP 5956-5962 TE Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections AU Kasper Hald, Poul Jorgensen, Ove Christiansen, and Henrik Koch PP 5963-5970 TE Efficient multiple-time-step integrators with distance-based force splitting for particle-mesh-Ewald molecular dynamics simulations AU Xiaoliang Qian and Tamar Schlick PP 5971-5983 TE Modified genetic algorithm to model crystal structures. I. Benzene, naphthalene and anthracene AU Victor E.Bazterra, Marta B.Ferraro, and Julio C.Facelli PP 5984-5991 TE Modified genetic algorithm to model crystal structures. II. Determination of a polymorphic structure of benzene using enthalpy minimization AU Victor E.Bazterra, Marta B.Ferraro, and Julio C.Facelli PP 5992-5995 TE Laser induced fluorescence spectra of the D ^{1}SIGMA_{u}^{+}-->B' ^{1}SIGMA_{g}^{+} and C ^{1}Pi_{g}-->A ^{1}PI_{u} systems of C_{2} in solid Ne AU Tomonari Wakabayashi, Aik-Loong Ong, and Wolfgang Kraetschmer PP 5996-6001 TE The CH+H reaction studied with quantum-mechanical and classical trajectory calculations AU Rob van Harrevelt, Marc C.van Hemert, and George C.Schatz PP 6002-6011 TE The permanent electric dipole moments for the A ^{2}Pi and B ^{2}Sigma^{+} states and the hyperfine interactions in the A ^{2}Pi state of lanthanum monoxide, LaO AU T.C.Steimle and Wilton Virgo PP 6012-6020 TE Electron attachment to SF_{5}CF_{3} (296-563 K) and calculations of the neutral and anion thermochemistry AU Thomas M.Miller, Susan T.Arnold, A.A.Viggiano, and W.B.Knighton PP 6021-6027 TE Solvation of formic acid and proton transfer in hydrated clusters AU Dongqing Wei, Jean-Francois Truchon, Suzanne Sirois, and Dennis Salahub PP 6028-6038 TE Short- and long-lived electronic states of BF^{-} AU A.Dreuw, T.Sommerfeld, and L.S.Cederbaum PP 6039-6044 TE High-resolution Fourier transform infrared and cw-diode laser cavity ringdown spectroscopy of the nu_{2}+2nu_{3} band of methane near 7510 cm^{-1} in slit jet expansions and at room temperature AU Michael Hippler and Martin Quack PP 6045-6055 TE Dihydrogen bonded phenol-borane-dimethylamine complex: An experimental and theoretical study AU G.Naresh Patwari, Takayuki Ebata, and Naohiko Mikami PP 6056-6063 TE Quasiclassical and quantum mechanical modeling of the breakdown of the axial recoil approximation observed in the near threshold photolysis of IBr and Br_{2} AU Eckart Wrede, Eloy R.Wouters, Marco Beckert, Richard N.Dixon, and Michael N.R.Ashfold PP 6064-6071 TE Microwave and millimeter-wave spectrum of the He...H_{2}^{+} long-range complex AU David I.Gammie, Josephine C.Page, and Andrew M.Shaw PP 6072-6078 TE Laser-induced fluorescence studies of excited Sr reactions. III. Sr(^{3}P_{1})+CHF==CH_{2}, CF_{2}==CH_{2}, CHF==CHF, and C_{6}H_{5}F AU J.M.Teule, M.H.M.Janssen, S.Stolte, and J.Bulthuis PP 6079-6087 TE Theory of fluorescence decay of naphthalene: Was photoinduced cooling observed experimentally? AU Yong He and Eli Pollak PP 6088-6101 TE A quantum mechanics-molecular mechanics study of dissociative electron transfer: The methylchloride radical anion in aqueous solution AU Alejandro Soriano, Estanislao Silla, and In~aki Tun~on PP 6102-6110 TE Anion photoelectron spectroscopy of I_{2}^{-}(CO_{2})_{n}(n=1-8) clusters AU Harry Gomez, Travis R.Taylor, and Daniel M.Neumark PP 6111-6117 TE An excess electron bound to urea. III. The urea dimer as an electron trap AU Piotr Skurski and Jack Simons PP 6118-6125 TE Photodetachment spectroscopy of the C_{2n}H^{-} (n=2-4) anions in the vicinity of their electron detachment threshold AU T.Pino, M.Tulej, F.Guethe, M.Pachkov, and J.P.Maier PP 6126-6131 TE Probing potential surfaces for hydrogen bonding: Near-infrared combination band spectroscopy of van der Waals stretch (nu_{4}) and geared bend (nu_{5}) vibrations in (HCl)_{2} AU Michal Farnik, Scott Davis, Michael D.Schuder, and David J.Nesbitt PP 6132-6145 TE Beyond the Born-Oppenheimer approximation: High-resolution overtone spectroscopy of H_{2}D^{+} and D_{2}H^{+} AU Michal Farnik, Scott Davis, Maxim A.Kostin, Oleg L.Polyansky, Jonathan Tennyson, and David J.Nesbitt PP 6146-6158 TE Propagating density fluctuations in liquid mixtures: From hydrodynamic to molecular length scales AU N.Anento and J.A.Padro PP 6159-6169 TE Complementary approaches to the ab initio calculation of melting properties AU D.Alfe, M.J.Gillan, and G.D.Price PP 6170-6177 TE Electric field effect on positronium formation in liquids AU Sergey V.Stepanov and Vsevolod M.Byakov PP 6178-6195 TE Gradient vector field and properties of the experimental electrostatic potential: Application to ibuprofen drug molecule AU Nouzha Bouhmaida, Michael Dutheil, Nour Eddine Ghermani, and Pierre Becker PP 6196-6204 TE Molecular dynamics of glass-forming liquids: Structure and dynamics of liquid metatoluidine AU Riccardo Chelli, Gianni Cardini, Piero Procacci, Roberto Righini, and Salvatore Califano PP 6205-6215 TE Effect of binding on particle number fluctuations in a membrane channel AU Alexander M.Berezhkovskii, Mark A.Pustovoit, and Sergey M.Bezrukov PP 6216-6220 TE Effect of ambient-pressure reduction on multibubble sonochemiluminescence AU Toru Tuziuti, Shin-ichi Hatanaka, Kyuichi Yasui, Teruyuki Kozuka, and Hideto Mitome PP 6221-6227 TE Nonequilibrium dynamics and fluctuation-dissipation relation in a sheared fluid AU Ludovic Berthier and Jean-Louis Barrat PP 6228-6242 TE Two-color three pulse photon echo peak shift spectroscopy AU Ritesh Agarwal, Bradley S.Prall, Abbas H.Rizvi, Mino Yang, and Graham R.Fleming PP 6243-6252 TE Density functional theory of spin-coupled models for diiron-oxo proteins: Effects of oxo and hydroxo bridging on geometry, electronic structure, and magnetism AU Jorge H.Rodriguez and James K.McCusker PP 6253-6270 TE A self-consistent mode-coupling theory for dynamical correlations in quantum liquids: Rigorous formulation AU Eran Rabani and David R.Reichman PP 6271-6278 TE A self-consistent mode-coupling theory for dynamical correlations in quantum liquids: Application to liquid para-hydrogen AU David R.Reichman and Eran Rabani PP 6279-6285 TE Selective growth of flowerlike carbon structures by Radio Frequency plasma-assisted pulsed-laser deposition AU Yoke Khin Yap, Masashi Yoshimura, Yusuke Mori, and Takatomo Sasaki PP 6286-6290 TE Dissociative chemisorption of methylsilane on the Si(100) surface AU Pier Luigi Silvestrelli, Carlo Sbraccia, and Francesco Ancilotto PP 6291-6296 TE Linear electro-optic tensor ratio determination and quadratic electro-optic modulation of electrostatically self-assembled CdSe quantum dot films AU Liangmin Zhang, Fajian Zhang, Yongqiang Wang, and Richard O.Claus PP 6297-6304 TE Phase separation of a binary fluid in the presence of immobile particles: A lattice Boltzmann approach AU Domenico Suppa, Olga Kuksenok, Anna C.Balazs, and J.M.Yeomans PP 6305-6310 TE Interfaces between silicalite surfaces and liquid hexadecane: A molecular dynamics simulation AU Edmund B.Webb III and Gary S.Grest PP 6311-6321 TE Soft x-ray imaging and spectroscopy of single nanocrystals AU Joerg Rockenberger, Frithjof Nolting, Jan Luening, Jiangtao Hu, and A.Paul Alivisatos PP 6322-6328 TE Effective binding force calculation in a dimeric protein by molecular dynamics simulation AU Alessandro Sergi, Giovanni Ciccotti, Mattia Falconi, Alessandro Desideri, and Mauro Ferrario PP 6329-6338 TE Comparison of the ultrafast to slow time scale dynamics of three liquid crystals in the isotropic phase AU S.D.Gottke, Hu Cang, Biman Bagchi, and M.D.Fayer PP 6339-6347 TE Two shear flow regimes in nematic liquid crystals: Near a charged surface and in the bulk AU A.V.Zakharov and Ronald Y.Dong PP 6348-6353 TE Entropy driven demixing in fluids of rigidly ordered particles AU Sylviane DuBois and Aurelien Perera PP 6354-6367 TE Schroedinger equation for current carrying states AU D.S.Kosov PP 6368-6375

TE The importance of the diabatic channels in the chemi-ionization reaction O(^{3}P)+CH(a ^{4}Sigma^{-})-->HCO^{+}(X ^{1}Sigma^{+})+e^{-} AU Aristophanes Metropoulos PP 6376-6378 TE Comment on "Self-diffusion near the liquid-vapor critical point" [J. Chem. Phys., v.114, 4912 (2001)] AU Kenneth R.Harris PP 6379-6380 TE Response to "Comment on `Self-diffusion near the liquid-vapor critical point'" [J. Chem. Phys., v.116, 6379 (2002)] AU Alexander N.Drozdov and Susan C.Tucker PP 6381-6382