The Journal of Chemical Physics, 2002, V 116, N 21, June 1.


TE Energy transfer in rare gas collisions with hydroxyl- and methyl-terminated self-assembled monolayers AU Shelby F.Shuler, Gwen M.Davis, and John R.Morris PP 9147-9150 TE The global minimum structure of SiC_{3}: The controversy continues AU Kurt W.Sattelmeyer, Henry F.Schaefer III, and John F.Stanton PP 9151-9153 TE Conjectures on the glass transition of polymers in confined geometries AU John D.McCoy and John G.Curro PP 9154-9157

Theoretical Methods and Algorithms
TE Time distributions for classically unallowed processes of a two-level system: Nonadiabatic tunneling and above-barrier reflection AU Randall S.Dumont PP 9158-9164 TE Nonlinear optical properties of tetrahedral donor-acceptor octupolar molecules: Effective five-state model approach AU Minhaeng Cho, Sun-Young An, Hochan Lee, Isabelle Ledoux, and Joseph Zyss PP 9165-9173 TE Numerical approaches for computing nonadiabatic electron transfer rate constants AU J.L.Liao and Gregory A.Voth PP 9174-9187 TE First principles determination of the bound levels of Li^{-}(H_{2}) AU Daniel T.Chang, G.Surratt, G.Ristroff, and Gregory I.Gellene PP 9188-9195 TE Theory of open quantum systems AU Ruixue Xu and YiJing Yan PP 9196-9206 TE Coherent state semiclassical initial value representation for the Boltzmann operator in thermal correlation functions AU Nancy Makri and William H.Miller PP 9207-9212 TE Relationships between Jaynes entropy of the one-particle density matrix and Shannon entropy of the electron densities AU Robin P.Sagar, Juan Carlos Ramirez, Rodolfo O.Esquivel, Minhhuy Ho, and Vedene H.Smith, Jr. PP 9213-9221
Gas Phase Dynamics and Structure: Spectroscopy,
Molecular Interactions, Scattering, and Photochemistry
TE F+D_{2} reaction at ultracold temperatures AU E.Bodo, F.A.Gianturco, and A.Dalgarno PP 9222-9227 TE Measurement of Cl and Br photofragment alignment using slice imaging AU T.Peter Rakitzis and Theofanis N.Kitsopoulos PP 9228-9231 TE Submillimeter-wave spectra of HCS and DCS AU Hideta Habara, Satoshi Yamamoto, and Takayoshi Amano PP 9232-9238 TE Laser spectroscopic study of the SiAr van der Waals complex AU Chong Tao, Alexey Teslja, Paul J.Dagdigian, Sule Atahan, and Millard H.Alexander PP 9239-9248 TE Ab initio ground state potential energy surfaces for Rg-Br_{2} (Rg=He, Ne, Ar) complexes AU Rita Prosmiti, Carlos Cunha, Pablo Villarreal, and Gerardo Delgado-Barrio PP 9249-9254 TE The ab initio potential energy surface and vibrational-rotational energy levels of dilithium monoxide, Li_{2}O AU Jacek Koput and Kirk A.Peterson PP 9255-9260 TE Electronic excitation and optical cross sections of methylamine and ethylamine in the UV-VUV spectral region AU M.-J.Hubin-Franskin, J.Delwiche, A.Giuliani, M.-P.Ska, F.Motte-Tollet, I.C.Walker, N.J.Mason, J.M.Gingell, and N.C.Jones PP 9261-9268 TE Ab initio potentials for the S(^{3}P_{j})-rare gas dimers: Implementation for elastic and inelastic collisions and comparison with scattering potentials AU J.Klos, G.Chalasinski, Roman V.Krems, A.A.Buchachenko, Vincenzo Aquilanti, Fernando Pirani, and David Cappelletti PP 9269-9280 TE Investigation of the state-to-state rotational relaxation rate constants for carbon monoxide (CO) using infrared double resonance AU Steve P.Phipps, Tony C.Smith, Gordon D.Hager, Michael C.Heaven, J.K.McIver, and W.G.Rudolph PP 9281-9292 TE The Doppler-free two-photon absorption spectroscopy of naphthalene with Zeeman effects AU Mitsushi Okubo, Masatoshi Misono, Jinguo Wang, Masaaki Baba, and Hajime Kato PP 9293-9299 TE Structure, collective hydrogen transfer, and formation of Si(OH)_{4} in SiO_{2}-(H_{2}O)_{n} clusters AU Hai-Ping Cheng, Robert N.Barnett, and Uzi Landman PP 9300-9304 TE Theoretical investigation of the X ^{2}Sigma^{+}, A ^{2}Pi, and B ^{2}Sigma^{+} states of LiAr and LiKr AU Ioannis S.K.Kerkines and Aristides Mavridis PP 9305-9314 TE Vibronic structure and photodissociation dynamics of the A~ state of jet-cooled ammonia AU Andreas Bach, J.Matthew Hutchison, Robert J.Holiday, and F.Fleming Crim PP 9315-9325 TE Study of isotope effects in the photoionization of HI and DI using phase lag spectroscopy AU Ani Khachatrian, Richard Billotto, Langchi Zhu, Robert J.Gordon, and Tamar Seideman PP 9326-9332
Condensed Phase Dynamics, Structure, and Thermodynamics:
Spectroscopy, Reactions, and Relaxation
TE Wavelength-dependent resonant homodyne and heterodyne transient grating spectroscopy with a diffractive optics method: Solvent effect on the third-order signal AU Qing-Hua Xu, Ying-Zhong Ma, Igor V.Stiopkin, and Graham R.Fleming PP 9333-9340 TE Instantaneous collision complexes in molten alkali halides: Picosecond dynamics from low-frequency Raman data AU Sviatoslav A.Kirillov, Evangelia A.Pavlatou, and George N.Papatheodorou PP 9341-9351 TE The melting lines of model systems calculated from coexistence simulations AU James R.Morris and Xueyu Song PP 9352-9358 TE An inhomogeneous model of protein dielectric properties: Intrinsic polarizabilities of amino acids AU Xueyu Song PP 9359-9363 TE Vibrational overtones and rotational structure of HCl in rare gas matrices AU V.Berghof, M.Martins, B.Schmidt, and N.Schwentner PP 9364-9373 TE Evidence for transient kinetics of nucleation as responsible for the isothermal transformation of supercooled liquid into the glacial state of triphenyl phosphite AU Alain Hedoux, Yannick Guinet, Michel Foulon, and Marc Descamps PP 9374-9382 TE Many-body effects in the stimulated Raman response of binary mixtures: A comparison between theory and experiment AU Thomas l.C.Jansen, Audrius Pugzlys, Gheorghe Dan Cringus, Jaap G.Snijders, and Koos Duppen PP 9383-9391 TE Lower free energy bound for hard-sphere perturbation theory AU K.K.Mon PP 9392-9394 TE Density functional theory calculations of the energy and free energy of anisotropic multicomponent mixtures AU Martin P.Chernoff, Gregory L.Aranovich, and Marc D.Donohue PP 9395-9403 TE Computationally useful bridge diagram series. II. Diagrams in h-bonds AU John S.Perkyns, Kippi M.Dyer, and B.Montgomery Pettitt PP 9404-9412 TE Computationally useful bridge diagram series. III. Lennard-Jones mixtures AU Kippi Dyer, John Perkyns, and B.Montgomery Pettitt PP 9413-9421
Surfaces, Interfaces, and Materials
TE Simultaneous calculation of the helical pitch and the twist elastic constant in chiral liquid crystals from intermolecular torques AU Guido Germano, Michael P.Allen, and Andrew J.Masters PP 9422-9430 TE Geometric quantization of curvature energy in equipotential surfaces of ionic crystals AU Paul J.F.Gandy and Jacek Klinowski PP 9431-9434 TE Dissociative and diffractive scattering of H_{2} from Pt(111): A four-dimensional quantum dynamics study AU E.Pijper, G.J.Kroes, R.A.Olsen, and E.J.Baerends PP 9435-9448 TE Phase speciation by extended x-ray absorption fine structure spectroscopy AU Anatoly I.Frenkel, Oded Kleifeld, Stephen R.Wasserman, and Irit Sagi PP 9449-9456 TE The singlet-triplet energy gap in organic and Pt-containing phenylene ethynylene polymers and monomers AU A.Koehler, J.S.Wilson, R.H.Friend, M.K.Al-Suti, M.S.Khan, A.Gerhard, and H.Baessler PP 9457-9463 TE Comments on the use of the Einstein equation for transport diffusion: Application to argon in AlPO_{4}-5 AU H.L.Tepper and W.J.Briels PP 9464-9474 TE Dilution and cluster contributions to hopping transport in a bias field AU J.M.Sin and Z.G.Soos PP 9475-9484 TE Temperature dependence of nonradiative transitions: A nonperturbative theory AU V.Hizhnyakov and Helle Kaasik PP 9485-9491 TE Strained gallium nitride nanowires AU Hee Won Seo, Seung Yong Bae, Jeunghee Park, Hyunik Yang, Kwang Soo Park, and Sangsig Kim PP 9492-9499 TE Wetting-induced interaction between rigid nanoparticle and plate: A Monte Carlo study AU Hiroyuki Shinto, Katsushige Uranishi, Minoru Miyahara, and Ko Higashitani PP 9500-9509
Polymers, Biopolymers, and Complex Systems
TE Effect of compression on the molecular shape of polymer mushrooms with variable stiffness AU Tomas Edvinsson, Christer Elvingson, and Gustavo A.Arteca PP 9510-9517 TE Phase behavior and structure of star-polymer-colloid mixtures AU J.Dzubiella, C.N.Likos, and H.Loewen PP 9518-9530 TE Effect of nonmesogenic solute on the nematic-smectic-A phase transition AU Prabir K.Mukherjee PP 9531-9536 TE Extension of the Zimm and Rouse model to a polymer chain confined by a harmonic potential in theta-solvent conditions AU Rob Wenczel and Chwen-Yang Shew PP 9537-9544

TE Erratum: "Band structures and thermoelectric properties of the clathrates Ba_{8}Ga_{16}Ge_{30}, Sr_{8}Ga_{16}Ge_{30}, Ba_{8}Ga_{16}Si_{30}, and Ba_{8}In_{16}Sn_{30}" [J. Chem. Phys., v.115, 8060 (2001)] AU Nick P.Blake, Susan Latturner, J.Dan Bryan, Galen D.Stucky, and Horia Metiu PP 9545-9547