The Journal of Chemical Physics, 2001, V 114, N 24, 22 June.

TE Electron transfer to oriented molecules: Surprising steric
effect in t-butyl bromide
AU Sean A.Harris and Philip R.Brooks
PP 10569-10572

TE Thermodynamic regulation of actin polymerization
AU Priya S.Niranjan, Jeffrey G.Forbes, Sandra C.Greer,
Jacek Dudowicz, Karl F.Freed, and Jack F.Douglas
PP 10573-10576

TE Relationship between kinetics and thermodynamics of supercooled
liquids
AU Udayan Mohanty, Nathaniel Craig, and John T.Fourkas
PP 10577-10578

TE Stability and production of positron-diatomic molecule complexes
AU Massimo Mella, Dario Bressanini, and Gabriele Morosi
PP 10579-10582

ARTICLES

TE Scaling of classical rate constants on scaled potential-energy surfaces
AU Myung Soo Kim, Sang Tae Park, Bong June Sung, and Jeong Hee Moon
PP 10583-10590

TE Exchange energy functionals based on the full fourth-order
density matrix expansion
AU Sergey N.Maximoff and Gustavo E.Scuseria
PP 10591-10597

TE Vibration-rotation kinetic energy operators: A geometric algebra
approach
AU Janne Pesonen
PP 10598-10607

TE Direct semiclassical simulation of photochemical processes with
semiempirical wave functions
AU G.Granucci, M.Persico, and A.Toniolo
PP 10608-10615

TE Self-consistent field algorithms for Kohn-Sham models with
fractional occupation numbers
AU Eric Cances
PP 10616-10622

TE Quantum dissipative master equations: Some exact results
AU Y.Zhao and G.H.Chen
PP 10623-10637

TE Problematic p-benzyne: Orbital instabilities, biradical
character, and broken symmetry
AU T.Daniel Crawford, Elfi Kraka, John F.Stanton, and Dieter Cremer
PP 10638-10650

TE Exact three-dimensional quantum mechanical calculation of ozone
photodissociation in the Hartley band
AU Shi Ying Lin, Ke Li Han, and Guo Zhong He
PP 10651-10661

TE Experimental and theoretical differential cross sections for the
reactions Cl+H_{2}/D_{2}
AU Dimitris Skouteris, Hans-Joachim Werner, F.Javier Aoiz,
Luis Ban~ares, Jesus F.Castillo, Marta Menendez, Nadia Balucani,
Laura Cartechini, and Piergiorgio Casavecchia
PP 10662-10672

TE An ab initio study of the betaine anion-dipole-bound anionic
state of a model zwitterion system
AU Janusz Rak, Piotr Skurski, and Maciej Gutowski
PP 10673-10681

TE The X~ ^{2}B_{1}, ^{2}B_{2}, ^{2}A_{1}, and ^{2}A_{2} states of
oxygen difluoride cation (F_{2}O^{+}): High-level ab initio calculations
 and simulation of the ultraviolet photoelectron spectrum of F_{2}O
AU De-Chao Wang, Foo-Tim Chau, Daniel Kam-Wah Mok, Edmond P.F.Lee,
Levi Beeching, J.Steven Ogden, and John M.Dyke
PP 10682-10694

TE Electronic structure studies of six-atom gold clusters
AU Mohammad A.Omary, Manal A.Rawashdeh-Omary, Charles C.Chusuei,
John P.Fackler, Jr., and Paul S.Bagus
PP 10695-10701

TE Isomerizations and relative kinetic stability of LJ_{n} clusters
in a carrier gas
AU E.Curotto
PP 10702-10710

TE Interpolated potential-energy surface and reaction dynamics for
BH^{+}+H_{2}
AU Rebecca O.Fuller, Ryan P.A.Bettens, and Michael A.Collins
PP 10711-10716

TE A Drude-model approach to dispersion interactions in
dipole-bound anions
AU F.Wang and K.D.Jordan
PP 10717-10724

TE The E^{1}Sigma_{g}^{+} state of lithium dimer revised
AU W.Jastrzebski, A.Pashov, and P.Kowalczyk
PP 10725-10727

TE Single vibronic level emission spectroscopy of jet-cooled HsiF and DSiF
AU David A.Hostutler, Dennis J.Clouthier, and R.H.Judge
PP 10728-10732

TE A theoretical study of the nitrogen clusters formed from the
ions N_{3}^{-}, N_{5}^{+}, and N_{5}^{-}
AU Laura Gagliardi, Giorgio Orlandi, Stefano Evangelisti, and Bjoern O.Roos
PP 10733-10737

TE Electronic structure and chemical bonding of 3d-metal dimmers ScX, X=Sc-Zn
AU G.L.Gutsev, P.Jena, B.K.Rao, and S.N.Khanna
PP 10738-10748

TE Structures, energies, and vibrational spectra of water undecamer
and dodecamer: An ab initio study
AU Han Myoung Lee, Seung Bum Suh, and Kwang S.Kim
PP 10749-10756

TE Ground state electronic structures and spectra of zinc complexes
of porphyrin, tetraazaporphyrin, tetrabenzoporphyrin, and
phthalocyanine: A density functional theory study
AU Kiet A.Nguyen and Ruth Pachter
PP 10757-10767

TE A~ ^{2}Pi_{u} state-intermediated two-photon dissociation of
CS_{2}^{+} via the first channel
AU Limin Zhang, Jun Chen, Haifeng Xu, Jinghua Dai, Shilin Liu, and Xingxiao Ma
PP 10768-10772

TE The spectrum of an octahedral molecule in a degenerate
electronic state: The nu_{6} fundamental band of jet-cooled V(CO)_{6}
AU M.Rey, V.Boudon, M.Loeete, P.Asselin, P.Soulard, and L.Manceron
PP 10773-10779

TE A restricted dimensionality quasiclassical trajectory study of
H_{2}(v,0)+H_{2}(v',0)
AU M.E.Mandy, T.A.Rothwell, and P.G.Martin
PP 10780-10790

TE Theoretical study on electronic excitation spectra of Mo and Re
cluster complexes: [(Mo_{6}Cl_{8})Cl_{6}]^{2-} and [(Re_{6}S_{8})Cl_{6}]^{4-}
AU Hiroaki Honda, Takeshi Noro, Kiyoshi Tanaka, and Eisaku Miyoshi
PP 10791-10797

TE Investigation of collisional quenching of CCl_{2} (A~ ^{1}B_{1}
and a~ ^{3}B_{1}) by alkanes
AU Yide Gao, Linsen Pei, Yang Chen, and Congxiang Chen
PP 10798-10804

TE Nonadiabatic g-u mixing of the F ^{1}Sigma_{g}^{+} and 2
^{1}Sigma_{u}^{+} states of ^{6}Li^{7}Li
AU Li Li, Shunji Kasahara, Md.Humayun Kabir, Yukiko Sahashi,
Masaaki Baba, and Hajime Kato
PP 10805-10810

TE Long-range potential energy curves for the X ^{1}Sigma^{+} and a
^{3}Sigma^{+} states of NaRb
AU Warren T.Zemke and William C.Stwalley
PP 10811-10815

TE The role of the ground and excited potential energy surfaces in
the O(^{1}D and ^{3}P)+SiH_{4} reactions: A theoretical study
AU Thanh Lam Nguyen, Alexander M.Mebel, and Sheng H.Lin
PP 10816-10834

TE Relative product yields in the one-photon and vibrationally
mediated photolysis of isocyanic acid (HNCO)
AU H.Laine Berghout, Shizuka Hsieh, and F.Fleming Crim
PP 10835-10844

TE Satellite transition magic-angle spinning nuclear magnetic
resonance spectroscopy of half-integer quadrupolar nuclei
AU Zhehong Gan
PP 10845-10853

TE Dynamics of the nuclear magnetic resonance COSY-revamped by
asymmetric z-gradients (CRAZED) experiment
AU Chandrasekhar Ramanathan and Richard Bowtell
PP 10854-10859

TE Configuration interaction of Pr^{3+} in PrCl_{6}^{3-}
AU Peter A.Tanner, Chris S.K.Mak, and Michele D.Faucher
PP 10860-10871

TE Pressure and temperature dependences of the relaxation dynamics
of cresolphthalein-dimethylether: Evidence of contributions from
thermodynamics and molecular interactions
AU Marian Paluch, K.L.Ngai, and Stella Hensel-Bielowka
PP 10872-10883

TE Wavelength selective modulation in femtosecond pump-probe
spectroscopy and its application to heme proteins
AU Florin Rosca, Anand T.N.Kumar, Dan Ionascu, Theodore Sjodin,
Andrey A.Demidov, and Paul M.Champion
PP 10884-10898

TE A nonanalytic model for the generic van der Waals equation of
state and the critical behavior of simple fluids
AU Byung Chan Eu
PP 10899-10909

TE Interaction induced effects in the nonlinear Raman response of
liquid CS_{2}: A finite field nonequilibrium molecular dynamics approach
AU Thomas l.C.Jansen, Jaap G.Snijders, and Koos Duppen
PP 10910-10921

TE Curvature effect on surface diffusion: The nanotube
AU D.J.Shu and X.G.Gong
PP 10922-10926

TE Lattice-gas study of the kinetics of catalytic conversion of
NO-CO mixtures on rhodium surfaces
AU V.Bustos, C.S.Gopinath, R.Un~ac, F.Zaera, and G.Zgrablich
PP 10927-10931

TE Configurational entropy for adsorbed linear species (k-mers)
AU F.Roma, A.J.Ramirez-Pastor, and J.L.Riccardo
PP 10932-10937

TE Electrolytes at charged interfaces: Pair integral equation
approximations for model 2-2 electrolytes
AU Andrew C.Eaton and A.D.J.Haymet
PP 10938-10947

TE Monte Carlo simulations of Ca-montmorillonite hydrates
AU M.Chavez-Paez, L.dePablo, and J.J.dePablo
PP 10948-10953

TE Analysis of H_{2} dissociation dynamics on the Pd(111) surface
AU C.Crespos, H.F.Busnengo, W.Dong, and A.Salin
PP 10954-10962

TE Pattern formation and evolution in diblock copolymer thin films
above the order-disorder transition
AU J.-L.Masson, R.Limary, and P.F.Green
PP 10963-10967

TE Exotic phase transitions in disordered globular networks
AU Lorin Gutman and Eugene Shakhnovich
PP 10968-10976

LETTERS TO THE EDITOR

TE Phase transitions in mixed adsorbed layers: Effect of repulsion
between "hard squares" and "point particles"
AU Da-Jiang Liu and J.W.Evans
PP 10977-10978

TE A universal formula for dispersion coefficients between alkali atoms
AU C.J.Ahna and K.T.Tang
PP 10979

TE Comment on "Quasiresonant vibration-rotation transfer: A
kinematic interpretation" [J. Chem. Phys., v.111, 7697 (1999)]
AU Adolf Miklavc
PP 10980-10981

TE Response to "Comment on `Quasiresonant vibration-rotation
transfer: A kinematic interpretation'" [J. Chem. Phys., v.114, 10980 (2001)]
AU Anthony J.McCaffery and Richard J.Marsh
PP 10982-10984

TE Erratum: "A full configuration interaction and coupled-cluster
study of the potential-energy surfaces for the lowest singlet
excited state of N_{2}" [J. Chem. Phys., v.113, 6677 (2000)]
AU Helena Larsen, Jeppe Olsen, Poul Jorgensen, and Ove Christiansen
PP 10985

TE Erratum: "Relativistic dynamics of two spin-half particles in a
homogeneous magnetic field" [J. Chem. Phys., v.114, 1478 (2001)]
AU Sambhu N.Datta and Anirban Misra
PP 10986