The Journal of Chemical Physics, 2001, V 115, N 21, December 1.
TE Direct observation of the triplet lifetime quenching of single
dye molecules by molecular oxygen
AU Christian G.Huebner, Alois Renn, Indrek Renge, and Urs P.Wild
PP 9619-9622
TE Dissociation rates of benzene at VUV excitation
AU Tzu Chien Hsu, Jinian Shu, Yang Chen, Jim J.Lin, Yuan T.Lee,
and Xueming Yang
PP 9623-9626
ARTICLES
TE Characterization of anharmonicities on complex potential energy
surfaces: Perturbation theory and simulation
AU F.Calvo, J.P.K.Doye, and D.J.Wales
PP 9627-9636
TE A single Lanczos propagation method for calculating transition
amplitudes. III. S-matrix elements with a complex-symmetric
Hamiltonian
AU Shenmin Li, Guohui Li, and Hua Guo
PP 9637-9643
TE Optimization of hyperplanar transition states
AU Gisli H.Johannesson and Hannes Jonsson
PP 9644-9656
TE Long time scale kinetic Monte Carlo simulations without lattice
approximation and predefined event table
AU Graeme Henkelman and Hannes Jonsson
PP 9657-9666
TE Inclusion of mean-field spin-orbit effects based on all-electron
two-component spinors: Pilot calculations on atomic and molecular properties
AU Miroslav Ilia[ess with caron], Vladimir Kelloe, Lucas Visscher,
and Bernd Schimmelpfennig
PP 9667-9674
TE An improved reactive flux method for evaluation of rate
constants in dissipative systems
AU Alexander N.Drozdov and Susan C.Tucker
PP 9675-9684
TE Direct optimization of the atomic-orbital density matrix using
the conjugate-gradient method with a multilevel preconditioner
AU Helena Larsen, Jeppe Olsen, Poul Jorgensen, and Trygve Helgaker
PP 9685-9697
TE Atomic orbital Laplace-transformed second-order Moller-Plesset
theory for periodic systems
AU Philippe Y.Ayala, Konstantin N.Kudin, and Gustavo E.Scuseria
PP 9698-9707
TE A general method to obtain well localized Wannier functions for
composite energy bands in linear combination of atomic orbital
periodic calculations
AU Claudio M.Zicovich-Wilson, Roberto Dovesi, and Victor R.Saunders
PP 9708-9719
TE Formulation and implementation of the relativistic Fock-space
coupled cluster method for molecules
AU Lucas Visscher, Ephraim Eliav, and Uzi Kaldor
PP 9720-9726
TE Photodissociation study of CS_{2} at 193 nm using slice imaging
AU Theofanis N.Kitsopoulos, Christoph R.Gebhardt,
and T.Peter Rakitzis
PP 9727-9732
TE Electronic states of the phenoxyl radical
AU J.George Radziszewski, Michal Gil, Alexandr Gorski,
Jens Spanget-Larsen, Jacek Waluk, and Boguslaw J.Mroz
PP 9733-9738
TE Photodissociation of Br_{2} at 234 and 265 nm: Imaging studies
of one and two photon excitation
AU Yun-Jung Jee, Young-Jae Jung, and Kyung-Hoon Jung
PP 9739-9746
TE Activation of methane by size-selected iron cluster cations,
Fe_{n}^{+} (n=2-15): Cluster-CH_{x} (x=0-3) bond energies and
reaction mechanisms
AU Rohana Liyanage, Xiao-Guang Zhang, and P.B.Armentrout
PP 9747-9763
TE Rotationally resolved photoionization: Influence of the
4sigma-->ksigma shape resonance on CO^{+}(B ^{2}Sigma^{+})
rotational distributions
AU George R.Farquar, J.Scott Miller, E.D.Poliakoff, Kwanghsi Wang,
and V.McKoy
PP 9764-9770
TE Rotational pathways in electronic energy transfer
AU Anthony J.McCaffery and Richard J.Marsh
PP 9771-9780
TE Six-dimensional variational calculation of the bending energy
levels of HF trimer and DF trimer
AU Xiao-Gang Wang and Tucker Carrington, Jr.
PP 9781-9796
TE Quantum effect of solvent on molecular vibrational energy
relaxation of solute based upon path integral influence
functional theory
AU Taiji Mikami, Motoyuki Shiga, and Susumu Okazaki
PP 9797-9807
TE Low-energy excitations of vapor-deposited amorphous ice and its
annealing and methanol-doping effects studied by inelastic neutron scattering
AU Osamu Yamamuro, Yasushi Madokoro, Hirotaka Yamasaki,
Takasuke Matsuo, Itaru Tsukushi, and Kiyoshi Takeda
PP 9808-9814
TE Ab initio molecular dynamics simulation of liquid water and
water-vapor interface
AU Peter Vassilev, Christoph Hartnig, Marc T.M.Koper,
Frederic Frechard, and Rutger A.van Santen
PP 9815-9820
TE Magnetic and optical anisotropy of Clostridium pasteurianum
rubredoxin from optically detected electron paramagnetic resonance
AU Birgit Boerger and Dieter Suter
PP 9821-9826
TE Ultrafast laser control of ionic-bond formation: ClF in argon solids
AU M.Bargheer, J.Pietzner, P.Dietrich, and N.Schwentner
PP 9827-9834
TE Protonic and Bjerrum defect activity near the surface of ice at T<145 K
AU Nevin Uras-Aytemiz, Charles Joyce, and J.Paul Devlin
PP 9835-9842
TE Isotope exchange of D_{2}O on H_{2}O ice: Surface versus bulk reactivity
AU Michael A.Everest and Christopher J.Pursell
PP 9843-9847
TE Reference system master equation approaches to condensed phase
charge transfer processes. I. General formulation
AU Andrei A.Golosov and David R.Reichman
PP 9848-9861
TE Reference system master equation approaches to condensed phase
charge transfer processes. II. Numerical tests and applications
to the study of photoinduced charge transfer reactions
AU Andrei A.Golosov and David R.Reichman
PP 9862-9870
TE Electrical conductivity of highly concentrated electrolytes near
the critical consolute point: A study of tetra-n-butylammonium
picrate in alcohols of moderate dielectric constant
AU A.Oleinikova and M.Bonetti
PP 9871-9882
TE Comparison of polarizable and nonpolarizable models of hydrogen
fluoride in liquid and supercritical states: A Monte Carlo
simulation study
AU Pal Jedlovszky, Mihaly Mezei, and Renzo Vallauri
PP 9883-9894
TE Inertial effects in the nonlinear transient relaxation of
Brownian particles in strong external electric fields
AU W.T.Coffey, Yu.P.Kalmykov, and S.V.Titov
PP 9895-9904
TE Energy bottlenecks and the rotational dynamics of a water-like fluid
AU Glenn T.Evans
PP 9905-9911
TE Noise spectroscopy of randomly modulated atoms
AU Gautam Vemuri
PP 9912-9922
TE Cavitation in two-dimensional metallo-supramolecular
coordination polyelectrolyte amphiphile complexes
AU Z.Khattari, E.Hatta, D.G.Kurth, and Th.M.Fischer
PP 9923-9928
TE Application of the z-transform to composite materials
AU Yi Qin Gao and R.A.Marcus
PP 9929-9934
TE Orientation of liquid crystal monolayers on polyimide alignment
layers: A molecular dynamics simulation study
AU N.F.A.van der Vegt, F.Mueller-Plathe, A.Gelesus, and D.Johannsmann
PP 9935-9946
TE Hydrogen-exchange reactions via hot hydrogen atoms produced in
the dissociation process of molecular hydrogen on Ir
AU Kousuke Moritani, Michio Okada, Mamiko Nakamura, Toshio Kasai,
and Yoshitada Murata
PP 9947-9959
TE Nano-dewetting: Interplay between van der Waals- and
short-ranged interactions
AU M.Mueller, L.G.MacDowell, P.Mueller-Buschbaum, O.Wunnike, and M.Stamm
PP 9960-9969
TE Influence of nucleation nature on Ca mineral/substrate
structural synergy and implications for biomineralization in microgravity
AU Xiang Yang Liu
PP 9970-9974
TE Phases of neon, xenon, and methane adsorbed on nanotube bundles
AU M.Mercedes Calbi, Silvina M.Gatica, Mary J.Bojan, and Milton W.Cole
PP 9975-9981
TE Extraordinary elevation of the glass transition temperature of
thin polymer films grafted to silicon oxide substrates
AU Ranjeet S.Tate, David S.Fryer, Silvia Pasqualini,
Martha F.Montague, Juan J.de Pablo, and Paul F.Nealey
PP 9982-9990
TE Photocontrol of protein conformation in a Langmuir monolayer
AU Pietro Cicuta, Ian Hopkinson, and Peter G.Petrov
PP 9991-9994
TE Poly(alpha-methylstyrene) in methylcyclohexane: Densities and
viscosities near the liquid-liquid critical point
AU Krishna S.Pendyala, S.C.Greer, and D.T.Jacobs
PP 9995-10000
TE The reorganization of the lamellar structure of a single
polyethylene chain during heating: Molecular dynamics simulation
AU Xiu-bin Zhang, Ze-sheng Li, Zhong-yuan Lu, and Chia-Chung Sun
PP 10001-10006
TE Triplet-triplet annihilation in a poly(fluorene)-derivative
AU Dirk Hertel, Heinz Baessler, Roland Guentner, and Ullrich Scherf
PP 10007-10013
TE Excited state polarizabilities of conjugated molecules
calculated using time dependent density functional theory
AU F.C.Grozema, R.Telesca, H.T.Jonkman, L.D.A.Siebbeles, and J.G.Snijders
PP 10014-10021
TE Anisotropic diffusion of tagged spheres near the
isotropic-nematic phase transition
AU R.Vasanthi, S.Ravichandran, and Biman Bagchi
PP 10022-10028
TE Effect of temperature, pressure and volume on long time
relaxation dynamics in fragile glass-forming liquid
AU Marian Paluch
PP 10029-10035
TE Effects of temperature and pressure on phase transitions in a
ternary microemulsion system
AU Michihiro Nagao, Hideki Seto, Takayoshi Takeda, and Youhei Kawabata
PP 10036-10044
LETTERS TO THE EDITOR
TE On the microscopic interaction of para-chlorofluorobenzene with water
AU C.Riehn, B.Reimann, K.Buchhold, S.Vaupel, H.-D.Barth,
B.Brutschy, P.Tarakashwar, and Kwang S.Kim
PP 10045-10047
TE Conjecture of the lifetime of delocalized electrons in liquid helium
AU Werner F.Schmidt, Eugen Illenberger, Alexey G.Khrapak, and Yosuke Sakai
PP 10048-10049