The Journal of Chemical Physics, 2001, V 114, N 4, 22 January.


TE Coherent optical control over collective vibrations 
traveling at lightlike speeds
AU Richard M.Koehl and Keith A.Nelson
PP 1443-1446

ARTICLES

TE Correct dissociation behavior of radical ions such as H_{2}^{+} in density functional calculations AU H.Chermette, I.Ciofini, F.Mariotti, and C.Daul PP 1447-1453 TE A semiclassical approach to the dynamics of many-body Bose/Fermi systems by the path integral centroid molecular dynamics AU Kenichi Kinugawa, Hidemi Nagao, and Koji Ohta PP 1454-1466 TE A single Lanczos propagation method for calculating transition amplitudes. II. Modified QL and symmetry adaptation AU Rongqing Chen and Hua Guo PP 1467-1472 TE A symmetry-adapted Lanczos method for calculating energy levels with different symmetries from a single set of iterations AU Xiao-Gang Wang and Tucker Carrington, Jr. PP 1473-1477 TE Relativistic dynamics of two spin-half particles in a homogeneous magnetic field AU Sambhu N.Datta and Anirban Misra PP 1478-1490 TE Improved algorithm for corner-cutting tunneling calculations AU Antonio Fernandez-Ramos and Donald G.Truhlar PP 1491-1496 TE Efficiency of different numerical methods for solving Redfield equations AU Ivan Kondov, Ulrich Kleinekathoefer, and Michael Schreiber PP 1497-1504 TE Spin correlation function of benzene and naphthalene from spin-coupled wave functions AU B.Bomfleur, J.Voitlaender, M.Sironi, and M.Raimondi PP 1505-1509 TE Interplay of non-Markovian relaxation and ultrafast optical state preparation in molecular systems: The Laguerre polynomial method AU T.Mancal and V.May PP 1510-1523 TE Quantum dynamics using pseudo-particle trajectories: A new approach based on the multiconfiguration time-dependent Hartree method AU G.A.Worth PP 1524-1533 TE Dimers of alkaline earth metal halide radicals, (MX)_{2} (M=Be, Mg, Ca; X=F, Cl): A theoretical study AU G.P.Li and I.P.Hamilton PP 1534-1538 TE Preference of cluster isomers as a result of quantum delocalization: Potential energy surfaces and intermolecular vibrational states of Ne...HBr, Ne...HI, and HI(Ar)_{n} (n=1-6) AU Petr Slavicek, Martina Roeselova, Pavel Jungwirth, and Burkhard Schmidt PP 1539-1548 TE Quantum-classical correspondence in the O(^{3}P)+HCl and Cl(^{2}P)+OH reactions for total angular momentum J=0 AU Yongjing Lin, B.Ramachandran, Katsuyuki Nobusada, and Hiroki Nakamura PP 1549-1558 TE Infrared spectra and density functional calculations of platinum hydrides AU Lester Andrews, Xeufeng Wang, and Laurent Manceron PP 1559-1566 TE Double proton transfer in the complex of acetic acid with methanol: Theory versus experiment AU Antonio Fernandez-Ramos, Zorka Smedarchina, and Jesus Rodriguez-Otero PP 1567-1574 TE Locally designed pulse shaping for selective preparation of enantiomers from their racemate AU K.Hoki, Y.Ohtsuki, and Y.Fujimura PP 1575-1581 TE Tautomerism of 6-thioxanthine in the gas and aqueous phases using AM1 and PM3 methods AU Pervin Uenal Civcir PP 1582-1588 TE Ground and valence excited states of C_{2}N and CN_{2} transients: Ab initio geometries, electronic structures, and molecular properties AU Rajendra Pd.and P.Chandra PP 1589-1600 TE Quantum wavepacket method for state-to-state reactive cross sections AU Stuart C.Althorpe PP 1601-1616 TE Photodissociation dynamics of CBrClF_{2} at 157.6 nm. I. Experimental study using photofragment translational spectroscopy AU Atsushi Yokoyama, Keiichi Yokoyama, and Toshiyuki Takayanagi PP 1617-1623 TE Photodissociation dynamics of CBrClF_{2} at 157.6 nm. II. A theoretical study using wave packet propagation AU Keiichi Yokoyama, Atsushi Yokoyama, and Toshiyuki Takayanagi PP 1624-1630 TE S_{1}-S_{2} vibronic coupling in cis-1,3,5-hexatriene. I. Electronic structure calculations AU Clemens Woywod, William C.Livingood, and John H.Frederick PP 1631-1644 TE S_{1}-S_{2} vibronic coupling in cis-1,3,5-hexatriene. II. Theoretical investigation of absorption and resonance Raman spectra AU Clemens Woywod, William C.Livingood, and John H.Frederick PP 1645-1662 TE Reactions at suprathreshold energy: Evidence of a kinematic limit to the internal energy of the products AU Carl A.Picconatto, Abneesh Srivastava, and James J.Valentini PP 1663-1671 TE An experimental and ab initio reinvestigation of the Lyman-alpha photodissociation of H_{2}S and D_{2}S AU Phillip A.Cook, Stephen R.Langford, Richard N.Dixon, and Michael N.R.Ashfold PP 1672-1684 TE The role of rotation in the calculated ultraviolet photodissociation spectrum of ozone AU Mercedes Alacid and Claude Leforestier PP 1685-1692 TE A first principle effective Hamiltonian for including nonadiabatic effects for H_{2}^{+} and HD^{+} AU David W.Schwenke PP 1693-1699 TE Nonadiabatic transition-state theory: A Monte Carlo study of competing bond fission processes in bromoacetyl chloride AU Alison J.Marks PP 1700-1708 TE Separation of spin-orbit coupled metastable states of Kr^{+} and Xe^{+} by ion mobility AU Brian K.Bluhm, Simon W.North, and David H.Russell PP 1709-1715 TE Sequential ionization of C_{60} with femtosecond laser pulses AU E.E.B.Campbell, K.Hoffmann, H.Rottke, and I.V.Hertel PP 1716-1719 TE Formation of ammonium halide particles from pure ammonia and hydrogen halide gases: A theoretical study on small molecular clusters (NH_{3}-HX)_{n} (n=1, 2, 4; X=F, Cl, Br) AU Bob Cherng and Fu-Ming Tao PP 1720-1726 TE Phase equilibria and clustering in size-asymmetric primitive model electrolytes AU Qiliang Yan and Juan J.de Pablo PP 1727-1731 TE Path-integral Monte Carlo study of the structural and mechanical properties of quantum fcc and bcc hard-sphere solids AU Luis M.Sese PP 1732-1744 TE Analytical model of the fluorescence fluctuation spectroscopy experiment AU Eugene Novikov and Noeel Boens PP 1745-1753 TE Integral encounter theories of multistage reactions. I. Kinetic equations AU K.L.Ivanov, N.N.Lukzen, A.B.Doktorov, and A.I.Burshtein PP 1754-1762 TE Integral encounter theories of multistage reactions. II. Reversible inter-molecular energy transfer AU K.L.Ivanov, N.N.Lukzen, A.B.Doktorov, and A.I.Burshtein PP 1763-1774 TE Electronic structures and dynamics of the excited triplet states of alpha,omega-diphenylpolyynes AU Yasutomo Nagano, Tadaaki Ikoma, Kimio Akiyama, and Shozo Tero-Kubota PP 1775-1784 TE Sequential quenching of square-well particles AU Panu Danwanichakul and Eduardo D.Glandt PP 1785-1790 TE Water structure changes induced by hydrophobic and polar solutes revealed by simulations and infrared spectroscopy AU Kim A.Sharp, Bhupinder Madan, Eric Manas, and Jane M.Vanderkooi PP 1791-1796 TE Temperature-independent hole mobility in discotic liquid crystals AU T.Kreouzis, K.J.Donovan, N.Boden, R.J.Bushby, O.R.Lozman, and Q.Liu PP 1797-1802 TE Energy gap of a molecularly doped polymer measured by a new method of electron spectroscopy: Measurement of charge transfer force AU Chikara Manabe, Taishi Shigematsu, Hiroyuki Watanabe, and Masaaki Shimizu PP 1803-1806 TE Direct observation of graphite layer edge states by scanning tunneling microscopy AU P.L.Giunta and S.P.Kelty PP 1807-1812 TE Formation of quantum-dot quantum-well heteronanostructures with large lattice mismatch: ZnS/CdS/ZnS AU Reginald B.Little, Mostafa A.El-Sayed, Garnett W.Bryant, and Susan Burke PP 1813-1822 TE Secondary ion emission from Ar, Kr, Xe, N_{2}, O_{2}, CO, and SF_{6} adsorbed on Pt(111): Relation between neutralization of sputtered ions and bond nature of adsorbates AU Ryutaro Souda PP 1823-1830 TE Frictional properties of thin chain alcohol films AU F.Mugele and M.Salmeron PP 1831-1836 TE Structure of the acetone liquid/vapor interface AU Yuh Ling Yeh, Chun Zhang, Hermann Held, A.M.Mebel, Xing Wei, S.H.Lin, and Y.R.Shen PP 1837-1843 TE Low-energy electron-induced processes in condensed CF_{2}Cl_{2} films AU M.N.Hedhili, M.Lachgar, Y.Le Coat, R.Azria, M.Tronc, Q.B.Lu, and T.E.Madey PP 1844-1850 TE Effect of confinement on chemical reaction equilibria: The reactions 2NO<==>(NO)_{2} and N_{2}+3H_{2}<==>2NH_{3} in carbon micropores AU C.Heath Turner, J.Karl Johnson, and Keith E.Gubbins PP 1851-1859 TE Relativistic effects on the optical response of InSb by time-dependent density-functional theory AU F.Kootstra, P.L.de Boeij, H.Aissa, and J.G.Snijders PP 1860-1865 TE Aluminum doping of poly(vinylidene fluoride with trifluoroethylene) copolymer AU B.Xu, C.N.Borca, S.Ducharme, A.V.Sorokin, P.A.Dowben, V.M.Fridkin, S.P.Palto, N.N.Petukhova, and S.G.Yudin PP 1866-1869 TE Theory and experiment of coherent wave packet dynamics in rare earth solids: Absorption spectrum vs femtosecond fringe-resolved interferogram AU Q.Luo, D.C.Dai, G.Q.Wang, V.Ninulescu, X.Y.Yu, L.Luo, J.Y.Zhou, and YiJing Yan PP 1870-1875 TE Polyisoprene local dynamics in solution: Comparison between molecular dynamics simulations and high order diffusion theory AU Giovanni La Penna, Paola Carbone, Rita Carpentiero, Arnaldo Rapallo, and Angelo Perico PP 1876-1886 TE Examining the rheology of 9-octylheptadecane to giga-pascal pressures AU Clare McCabe, Shengting Cui, Peter T.Cummings, Peter A.Gordon, and Roland B.Saeger PP 1887-1891 TE Protein-membrane electrostatic interactions: Application of the Lekner summation technique AU Andre H.Juffer, Craig M.Shepherd, and Hans J.Vogel PP 1892-1905 TE Sequence design in lattice models by graph theoretical methods AU B.S.Sanjeev, S.M.Patra, and S.Vishveshwara PP 1906-1914 TE Perturbative polydispersity: Phase equilibria of near-monodisperse systems AU R.M.L.Evans PP 1915-1931 TE Chemoconvection: A chemically driven hydrodynamic instability AU M.A.Bees, A.J.Pons, P.G.Sorensen, and F.Sagues PP 1932-1943
LETTERS TO THE EDITOR

TE Erratum: "A relationship between centroid dynamics and path integral quantum transition state theory" [J. Chem. Phys.,v.112, 8747 (2000)] AU Seogjoo Jang and Gregory A.Voth PP 1944