Journal of Chemical Physics, 2000, V 113, N 15, 15 October.

TE Construction of an accurate potential energy surface by
interpolation with Cartesian weighting coordinates
AU Young Min Rhee
PP 6021-6024

TE Dielectric relaxation of hot water
AU Chia-Ning Yang and Hyung J.Kim
PP 6025-6028


TE The role of the local-multiplicative Kohn-Sham potential on the description of occupied and unoccupied orbitals AU Jorge Garza, Jeffrey A.Nichols, and David A.Dixon PP 6029-6034 TE Linear scaling density matrix search based on sign matrices AU Karoly Nemeth and Gustavo E.Scuseria PP 6035-6041 TE Multidimensional replica-exchange method for free-energy calculations AU Yuji Sugita, Akio Kitao, and Yuko Okamoto PP 6042-6051 TE Spin-contamination of coupled-cluster wave functions AU Anna I.Krylov PP 6052-6062 TE Algebraic force-field Hamiltonian expansion approach to linear polyatomic molecules AU Tokuei Sako, Daisuke Aoki, Kaoru Yamanouchi, and Francesco Iachello PP 6063-6069 TE Theory of solutions in the energetic representation. I. Formulation AU Nobuyuki Matubayasi and Masaru Nakahara PP 6070-6081 TE Ab initio group model potentials including electron correlation effects AU Norge Cruz Hernandez and Javier Fdez.Sanz PP 6082-6087 TE Non-Hermitian formulation of interference effect in scattering experiments AU Edvardas Narevicius and Nimrod Moiseyev PP 6088-6095 TE From small to large behavior: The transition from the aromatic to the Peierls regime in carbon rings AU Eric J.Bylaska, Ryoichi Kawai, and John H.Weare PP 6096-6106 TE Photodissociation of CF_{2}==CFCl at 193 nm by translational spectroscopy AU Y.R.Lee, L.D.Wang, Y.T.Lee, and S.M.Lin PP 6107-6112 TE Applying diatomic in molecules in excited electronic state calculations for flexible polyatomic molecules. The I_{3} molecule AU C.J.Margulis and D.F.Coker PP 6113-6121 TE Ab initio investigations of Li^{-}+nH_{2}-->LiH_{2}^{-}(H_{2})_{n-1},n=1-3 AU Stephanie B.Sharp and Gregory I.Gellene PP 6122-6131 TE Controlling molecular alignment rephasing through interference of Raman-induced rotational coherence AU E.Hertz, O.Faucher, B.Lavorel, and R.Chaux PP 6132-6138 TE A molecular orbital study on H and H_{2} elimination pathways from methane, ethane, and propane AU Stephan Irle and Keiji Morokuma PP 6139-6148 TE Direct ab initio dynamics studies of N+H_{2}<-NH+H reaction AU Shaowen Zhang and Thanh N.Truong PP 6149-6153 TE Positron and positronium chemistry by quantum Monte Carlo. V. The ground state potential energy curve of e^{+}LiH AU Massimo Mella, Gabriele Morosi, Dario Bressanini, and Stefano Elli PP 6154-6159 TE Structures, vibrational frequencies, and infrared spectra of the hexa-hydrated benzene clusters AU Jin Yong Lee, Jongseob Kim, Han Myoung Lee, P.Tarakeshwar, and Kwang S.Kim PP 6160-6168 TE Transition probability of Cu I, Ag I, and Au I from weakest bound electron potential model theory AU Nengwu Zheng, Tao Wang, and Ruyi Yang PP 6169-6173 TE On the ultraviolet photofragmentation of hydrogen iodide AU Aleksey B.Alekseyev, Heinz-Peter Liebermann, Daria B.Kokh, and Robert J.Buenker PP 6174-6185 TE Quantum scattering calculations of the O(^{1}D)+HCl reaction using a new ab initio potential and extensions of J-shifting AU Martina Bittererova, Joel M.Bowman, and Kirk Peterson PP 6186-6196 TE Laser control of molecular photodissociation with use of the complete reflection phenomenon AU Kuninobu Nagaya, Yoshiaki Teranishi, and Hiroki Nakamura PP 6197-6209 TE State-to-state studies of ground state NH(X ^{3}Sigma^{-},v=0,J,N)+Ne AU Jan Leo Rinnenthal and Karl-Heinz Gericke PP 6210-6226 TE Doppler-free UV-visible optical-optical double resonance polarization spectroscopy of the 2 ^{1}Sigma_{u}^{+} double minimum state and the C ^{1}Pi_{u} state of Li_{2} AU Shunji Kasahara, Pawel Kowalczyk, Md.Humayun Kabir, Masaaki Baba, and Hajime Kato PP 6227-6234 TE Static electric properties of conjugated cyclic ketones and thioketones AU Udo Eckart, Markus P.Fuelscher, Luis Serrano-Andres, and Andrzej J.Sadlej PP 6235-6244 TE Nature of binding in the alkaline-earth clusters: Be_{3}, Mg_{3}, and Ca_{3} AU Ilya G.Kaplan, Szczepan Roszak, and Jerzy Leszczynski PP 6245-6252 TE A quasiclassical trajectory study of the H+HCN-->H_{2}+CN reaction dynamics AU Diego Troya, Irene Ban~os, Miguel Gonzalez, Guosheng Wu, Marc A.ter Horst, and George C.Schatz PP 6253-6263 TE Coarse graining of nonbonded inter-particle potentials using automatic simplex optimization to fit structural properties AU Hendrik Meyer, Oliver Biermann, Roland Faller, Dirk Reith, and Florian Mueller-Plathe PP 6264-6275 TE Simulations of the nucleation of AgBr from solution AU Joel D.Shore, Dennis Perchak, and Yitzhak Shnidman PP 6276-6284 TE ^{1}H spin dynamics obtained from off-resonant decoupling in a ^{13}C-NMR signal AU Patricia R.Levstein, Gonzalo Usaj, Horacio M.Pastawski, Jesus Raya, and Jerome Hirschinger PP 6285-6287 TE The ejection distribution of solvated electrons generated by the one-photon photodetachment of aqueous I^{-} and two-photon ionization of the solvent AU J.A.Kloepfer, V.H.Vilchiz, V.A.Lenchenkov, A.C.Germaine, and S.E.Bradforth PP 6288-6307 TE A multiconfiguration self-consistent field/molecular dynamics study of the (n-->pi^{*})^{1} transition of carbonyl compounds in liquid water AU M.E.Martin, M.L.Sanchez, F.J.Olivares del Valle, and M.A.Aguilar PP 6308-6315 TE Restricted primitive model of dianions and counterions within the mean spherical approximation: Integral equation and thermodynamic perturbation theory AU N.von Solms and Y.C.Chiew PP 6316-6324 TE Correlation between the roughness degree of a protein surface and the mobility of solvent molecules on the surface AU Jun-Ho Choi and Sangyoub Lee PP 6325-6329 TE Anomalous infrared transmission of adsorbates on ultrathin metal films: Fano effect near the percolation threshold AU Oliver Krauth, Gerhard Fahsold, Norbert Magg, and Annemarie Pucci PP 6330-6333 TE Adsorption dynamics of CO on the polar surfaces of ZnO AU Th.Becker, M.Kunat, Ch.Boas, U.Burghaus, and Ch.Woell PP 6334-6343 TE Fast relaxation, boson peak, and anharmonicity in Li_{2}O-B_{2}O_{3} glasses AU S.Kojima, V.N.Novikov, and M.Kodama PP 6344-6350 TE On the theory of electron transfer reactions at semiconductor/liquid interfaces. II. A free electron model AU Yi Qin Gao and R.A.Marcus PP 6351-6360 TE Growth of organic ultrathin films studied by Penning ionization electron and ultraviolet photoelectron spectroscopies: Pentacene AU Hiroyuki Ozaki PP 6361-6375 TE Reorganization of adsorbed films by coadsorbing species AU S.Roke, J.M.Coquel, and A.W.Kleyn PP 6376-6381 TE Molecular dynamics study of the solid-liquid interface AU P.Geysermans, D.Gorse, and V.Pontikis PP 6382-6389 TE Water ordering around methane during hydrate formation AU Carolyn A.Koh, Robert P.Wisbey, Xiaoping Wu, Robin E.Westacott, and Alan K.Soper PP 6390-6397 TE Vacancy-assisted domain growth in amphiphilic systems: Monte Carlo simulation AU Ji-wen Liu and Yu-qiang Ma PP 6398-6403 TE Pressure in a micellized solution AU Moraes, W.Figueiredo, and Vera B.Henriques PP 6404-6408 TE Coarse-grained dynamics of one chain in a polymer melt AU Reinier L.C.Akkermans and W.J.Briels PP 6409-6422 TE Block copolymer thin films on corrugated substrates AU Iulia Podariu and Amitabha Chakrabarti PP 6423-6428 TE Theoretical investigation on dynamics of photopolymerization-induced phase separation and morphology development in nematic liquid crystal/polymer mixtures AU Domasius Nwabunma, Hao-Wen Chiu, and Thein Kyu PP 6429-6436 TE Geometry selects highly designable structures AU V.Shahrezaei and M.R.Ejtehadi PP 6437-6442 TE Chaining in magnetic colloids in the presence of flow AU I.Perez-Castillo, A.Perez-Madrid, J.M.Rubi, and G.Bossis PP 6443-6448

TE Comment on "A comment on dielectric hole burning" [J. Chem. Phys., v.111, 1043 (1999)] AU O.Kircher, R.V.Chamberlin, G.Diezemann, and R.Boehmer PP 6449-6450 TE Erratum: "Molecular dynamics study of vibrational energy relaxation of CN^{-} in H_{2}O and D_{2}O solutions: An application of path integral influence functional theory to multiphonon processes" [J. Chem. Phys., v.111, 5390 (1999)] AU Motoyuki Shiga and Susumu Okazaki PP 6451-6452