Journal of Chemical Physics, 2000, V 113, N 24, December 22.

TE The nuclear spin-spin coupling constant in He_{2}
AU Magdalena Pecul
PP 10835-10836

TE Electronic instability of isolated SO_{4}^{2-} and its solvation
stabilization
AU Xue-Bin Wang, John B.Nicholas, and Lai-Sheng Wang
PP 10837-10840

ARTICLES

TE Incorporating physical implementation concerns into closed loop
quantum control experiments
AU J.M.Geremia, Wusheng Zhu, and Herschel Rabitz
PP 10841-10848

TE Spectral decomposition and Bloch equation of the operators
represented by fixed-centroid path integrals
AU Telesforo Lopez-Ciudad and Rafael Ramirez
PP 10849-10860

TE Some relationships within the nonlocal chemical reactivity
formalism of density functional theory
AU E.Chamorro, R.Contreras, and P.Fuentealba
PP 10861-10866

TE Extended kinetic models with waiting-time distributions: Exact
results
AU Anatoly B.Kolomeisky and Michael E.Fisher
PP 10867-10877

TE Quantum codes for controlling coherent evolution
AU Yehuda Sharf, Timothy F.Havel, and David G.Cory
PP 10878-10885

TE Atoms in molecules, an axiomatic approach. I. Maximum
transferability
AU Paul W.Ayers
PP 10886-10898

TE A mobile charge densities in harmonic oscillators (MCDHO)
molecular model for numerical simulations: The water-water
interaction
AU Humberto Saint-Martin, Jorge Hernandez-Cobos,
Margarita I.Bernal-Uruchurtu, Ivan Ortega-Blake,
and Herman J.C.Berendsen
PP 10899-10912

TE Efficient particle-mesh Ewald based approach to fixed and
induced dipolar interactions
AU Abdulnour Toukmaji, Celeste Sagui, John Board, and Tom Darden
PP 10913-10927

TE The electronic structure and electron affinities of higher
chlorine oxide radicals ClO_{x} (x=2-4) from photoelectron
spectroscopy of ClO_{x}^{-} anions
AU Xue-Bin Wang and Lai-Sheng Wang
PP 10928-10933

TE Transient resonance Raman spectroscopy and density functional
theory investigation of iso-polyhalomethanes containing bromine
and/or iodine atoms
AU Xuming Zheng, Wei-Hai Fang, and David Lee Phillips
PP 10934-10946

TE Vibration-rotation transfer in molecular super rotors
AU Anthony J.McCaffery
PP 10947-10951

TE The A~<-X~(1+1)REMPI spectrum and high-level ab initio
calculations of the complex between NO and N_{2}
AU Jerome Lozeille, Sophia E.Daire, Stuart D.Gamblin,
Timothy G.Wright, and Edmond P.F.Lee
PP 10952-10961

TE Cluster photofragmentation dynamics: Quasiclassical trajectory
studies of Ar_{n}-H_{2}S and Ar_{n}-SH (n=1,2)
AU Joanna R.Fair and David J.Nesbitt
PP 10962-10972

TE Dipole bound and valence state coupling in argon-solvated
nitromethane anions
AU F.Lecomte, S.Carles, C.Desfrancois, and M.A.Johnson
PP 10973-10977

TE Thermodynamic study of the gaseous molecules Al_{2}N, AlN, and
Al_{2}N_{2} by Knudsen cell mass spectrometry
AU G.Meloni and K.A.Gingerich
PP 10978-10982

TE Ab initio and quasiclassical trajectory study of the
N(^{2}D)+NO(X^{2}Pi)-->O(^{1}D)+N_{2}(X ^{1}Sigma_{g}^{+})
reaction on the lowest ^{1}A' potential energy surface
AU Miguel Gonzalez, R.Valero, and R.Sayos
PP 10983-10998

TE Severely perturbed vibrational structure in the 266-310 nm
electronic transition of C_{3}
AU Mitsuaki Izuha and Kaoru Yamanouchi
PP 10999-11008

TE Vibrational wave packets in the B ^{1}Pi_{u} and D
^{1}Sigma_{u}^{+} states of Cs_{2}: Determination of improved
Cs_{2}^{+}(X) and Cs_{2}(B) spectroscopic constants
AU A.L.Oldenburg, P.C.John, and J.G.Eden
PP 11009-11018

TE Statistical rate theory for the HO+O<==>HO_{2}<==>H+O_{2}
reaction system: SACM/CT calculations between 0 and 5000 K
AU L.B.Harding, A.I.Maergoiz, J.Troe, and V.G.Ushakov
PP 11019-11034

TE Effect of pressure and temperature on the competition between
nondissociative and dissociative electron attachment to POCl_{3}
AU D.H.Williamson, C.A.Mayhew, W.B.Knighton, and E.P.Grimsrud
PP 11035-11043

TE Ab initio/spectroscopic interaction potential for He+Ne^{+}
AU M.F.Falcetta, M.J.Dorko, and P.E.Siska
PP 11044-11054

TE Time-dependent quantum mechanical calculations on H+O_{2} for
total angular momentum J>0. III. Total cross sections
AU Evelyn M.Goldfield and Anthony J.H.M.Meijer
PP 11055-11062

TE Negative ion formation from low energy (0-15 eV) electron impact
to CF_{2}Cl_{2} under different phase conditions
AU Judith Langer, Sara Matt, Martina Meinke, Petra Tegeder,
Aleksandar Stamatovic, and Eugen Illenberger
PP 11063-11070

TE Testing van der Waals interactions with quantum dynamics:
Repulsive anisotropy and well depth in the LiH+He system
AU E.Bodo, F.A.Gianturco, R.Martinazzo, F.Paesani, and M.Raimondi
PP 11071-11078

TE Charge transfer between ND_{3}^{+}(nu_{2}^{+}) and phenol
AU Ho-Tae Kim, Richard J.Green, and Scott L.Anderson
PP 11079-11083

TE An investigation of the F+H_{2} reaction based on a full ab
initio description of the open-shell character of the F(^{2}P) atom
AU Millard H.Alexander, David E.Manolopoulos,
and Hans-Joachim Werner
PP 11084-11100

TE Quantum-classical calculation of cross sections and rate
constants for the H_{2}+CN-->HCN+H reaction
AU Cecilia Coletti and Gert D.Billing
PP 11101-11108

TE 9,9'-Bianthryl and its van der Waals complexes studied by
rotational coherence spectroscopy: Structure and excited state
dynamics
AU Takashige Fujiwara, Yo Fujimura, and Okitsugu Kajimoto
PP 11109-11126

TE A density-functional study of small titanium clusters
AU S.H.Wei, Zhi Zeng, J.Q.You, X.H.Yan, and X.G.Gong
PP 11127-11133

TE Selective preparation of enantiomers by laser pulses: From
optimal control to specific pump and dump transitions
AU L.Gonzalez, K.Hoki, D.Kroener, A.S.Leal, J.Manz, and Y.Ohtsuki
PP 11134-11142

TE The infrared spectroscopy of hydrogen-bonded bridges:
2-pyridone-(water)_{n} and 2-hydroxypyridine-(water)_{n}
clusters, n=1,2
AU Gina M.Florio, Christopher J.Gruenloh, Robert C.Quimpo,
and Timothy S.Zwier
PP 11143-11153

TE Rotational dynamics of nondipolar probes in alkane-alkanol
mixtures: Microscopic friction on hydrogen bonding and
nonhydrogen bonding solute molecules
AU G.B.Dutt
PP 11154-11158

TE Controlling electron transfer in strong time-dependent fields:
Theory beyond the Golden Rule approximation
AU Ludwig Hartmann, Igor Goychuk, and Peter Haenggi
PP 11159-11175

TE Relaxation in charge-transfer systems with very large tunnel
splitting: A semiclassical stochastic approach
AU J.Casado-Pascual, C.Denk, M.Morillo, and R.I.Cukier
PP 11176-11186

TE The effects of librations on the ^{13}C chemical shift and ^{2}H
electric field gradient tensors in beta-calcium formate
AU Kevin J.Hallock, Dong Kuk Lee, and A.Ramamoorthy
PP 11187-11193

TE Zero-field magnetic resonance of the photo-excited triplet state
of pentacene at room temperature
AU Tran-Chin Yang, David J.Sloop, S.I.Weissman, and Tien-Sung Lin
PP 11194-11201

TE Potential energy surfaces of supercooled water: Intrabasin and
interbasin structures explored by quenching, normal mode
excitation, and basin hopping
AU Hideki Tanaka
PP 11202-11211

TE Dephasing of individual rotational states in liquids
AU Joonkyung Jang and Richard M.Stratt
PP 11212-11221

TE Spectroscopy and dynamics of mixtures of water with acetone,
acetonitrile, and methanol
AU Dean S.Venables and Charles A.Schmuttenmaer
PP 11222-11236

TE Theoretical studies on anomalous phases of photodoped systems in
two-band model
AU Hidemi Nagao, Masamichi Nishino, Yasuteru Shigeta,
Yasunori Yoshioka, and Kizashi Yamaguchi
PP 11237-11244

TE Mechanisms of the ultrafast production and recombination of
solvated electrons in weakly polar fluids: Comparison of
multiphoton ionization and detachment via the
charge-transfer-to-solvent transition of Na^{-} in THF
AU Ignacio B.Martini, Erik R.Barthel, and Benjamin J.Schwartz
PP 11245-11257

TE Memory function for dielectric relaxation
AU R.Diaz-Calleja, A.Garcia-Bernabe, M.J.Sanchis,
and L.F.del Castillo
PP 11258-11263

TE Combined Hartree-Fock quantum mechanical and molecular
mechanical molecular dynamics simulations of water at ambient
and supercritical conditions
AU Yaoquan Tu and Aatto Laaksonen
PP 11264-11269

TE Nonequilibrium formulation of infrared frequencies and
intensities in solution: Analytical evaluation within the
polarizable continuum model
AU Chiara Cappelli, Stefano Corni, Roberto Cammi,
Benedetta Mennucci, and Jacopo Tomasi
PP 11270-11279

TE The power law relation of spiral waves in the
Belousov-Zhabotinsky reaction
AU Yan Li, Shufeng Bai, and Qi Ouyang
PP 11280-11283

TE Interaction of sulfur with Pt(111) and Sn/Pt(111): Effects of
coverage and metal-metal bonding on reactivity toward sulfur
AU Jose A.Rodriguez, Jan Hrbek, Mark Kuhn, Tomas Jirsak,
Sanjay Chaturvedi, and Amitesh Maiti
PP 11284-11292

TE Nonlinear effects of physisorption on static friction
AU G.T.Gao, X.C.Zeng, and D.J.Diestler
PP 11293-11296

TE Orientation of thin liquid crystal films on buffed polyimide
alignment layers: A near-edge x-ray absorption fine structure
investigation
AU Klaus Weiss, Christof Woell, and Diethelm Johannsmann
PP 11297-11305

TE Vibronic interpretation of the low-energy absorption spectrum of
the sexithiophene single crystal
AU Piotr Petelenz and Marcin Andrzejak
PP 11306-11314

TE Self-affine silver films and surface-enhanced Raman scattering:
Linking spectroscopy to morphology
AU C.Douketis, T.L.Haslett, Z.Wang, M.Moskovits, and S.Iannotta
PP 11315-11323

TE Glass transition and layering effects in confined water: A
computer simulation study
AU P.Gallo, M.Rovere, and E.Spohr
PP 11324-11335

TE Fluctuations in the number of irreversibly adsorbed particles
AU Zbigniew Adamczyk, Lilianna Szyk-Warszynska, B.Siwek,
and P.Weronski
PP 11336-11342

TE Thermodynamic aspects in a simplified model for the folding of
two-stranded coiled-coils
AU Silvia G.Prolongo, Ana M.Rubio, and Antonio Rey
PP 11343-11354

TE Monte Carlo study of the microphase separation of cross-linked
polymer blends
AU Stefan Lay, Jens-Uwe Sommer, and Alexander Blumen
PP 11355-11363

TE A microemulsion model on sc, bcc and fcc lattices: Ground state
properties
AU C.Buzano and M.Pretti
PP 11364-11371

TE Rigorous Franck-Condon absorption and emission spectra of
conjugated oligomers from quantum chemistry
AU Stoyan Karabunarliev, Martin Baumgarten, Eric R.Bittner,
and Klaus Muellen
PP 11372-11381

TE A configurational-bias approach for the simulation of inner
sections of linear and cyclic molecules
AU Zhong Chen and Fernando A.Escobedo
PP 11382-11392

TE Osmotic pressure of ring polymer solutions: A Monte Carlo study
AU Edwin Flikkema and Gerrit ten Brinke
PP 11393-11395

LETTERS TO THE EDITOR


TE Comment on "From Rouse dynamics to local relaxation: A neutron
spin echo study on polyisobutylene melts" [J. Chem. Phys.,
v.111, 6107 (1999)]
AU Ludger Harnau
PP 11396-11397

TE Response to "Comment on `From Rouse dynamics to local
relaxation: A neutron spin echo study on polyisobutylene melts'"
[J. Chem. Phys., v.113, 11396 (2000)]
AU Dieter Richter, Michael Monkenbusch, Wim Pykhout-Hintzen,
Arantxa Arbe, and Juan Colmenero
PP 11398-11399