Journal of Chemical Physics

Journal of Chemical Physics, Vol.116, No.10 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (44 articles)

3963 - 3966	A new analytic form of ab initio potential energy function: An application to H2O Yagi K, Taketsugu T, Hirao K
3967 - 3979	Integration schemes for dissipative particle dynamics simulations: From softly interacting systems towards hybrid models Vattulainen I, Karttunen M, Besold G, Polson JM
3980 - 3984	Functionals of quantities other than the electron density: Approximations to the exchange energy Ernzerhof M, Maximoff SN, Scuseria GE
3985 - 4000	Analysis of the magnetic coupling in binuclear complexes. II. Derivation of valence effective Hamiltonians from ab initio CI and DFT calculations Calzado CJ, Cabrero J, Malrieu JP, Caballol R
4001 - 4010	Polarizability of molecular clusters as calculated by a dipole interaction model Jensen L, Astrand PO, Osted A, Kongsted J, Mikkelsen KV
4011 - 4022	Photoelectron spectroscopy via the 1 (1)Delta(u) state of diacetylene Ramos C, Winter PR, Zwier TS, Pratt ST
4023 - 4029	Single to triple ionization of propane due to electron impact: Cross sections for the different dissociation channels Wang PQ, Vidal CR
4030 - 4038	Rotational level dependence of ground state recovery rates for OH X-2 Pi(v''(')=0) in atmospheric pressure flames using the picosecond saturating-pump degenerate four-wave mixing probe technique Tobai J, Dreier T, Daily JW
4039 - 4053	Structure and energetics of He-2* bubble-states in superfluid He-4 Eloranta J, Schwentner N, Apkarian VA
4054 - 4057	Mean excitation energy, static polarizability, and hyperpolarizability of the spherically confined hydrogen atom Banerjee A, Sen KD, Garza J, Vargas R
4058 - 4070	Controlling nucleation and growth of nanodroplets in supersonic nozzles Streletzky KA, Zvinevich Y, Wyslouzil BE, Strey R
4071 - 4078	Electronic spectroscopy of intermediates involved in the conversion of methane to methanol by FeO+ Aguirre F, Husband J, Thompson CJ, Stringer KL, Metz RB
4079 - 4086	Vibrational motions and nuclear spin relaxation in paramagnetic complexes: Hexaaquonickel(II) as an example Kruk D, Kowalewski J
4087 - 4093	A theoretical determination of the methyl and aldehydic torsion far-infrared spectrum of propanal-d(0) with the vibrational zero point correction Smeyers YG, Villa M
4094 - 4101	Structures of small gold cluster cations (Au-n(+), n < 14): Ion mobility measurements versus density functional calculations Gilb S, Weis P, Furche F, Ahlrichs R, Kappes MM
4102 - 4115	The frequency detuning correction and the asymmetry of line shapes: The far wings of H2O-H2O Ma Q, Tipping RH
4116 - 4123	The hydrogen-bonded heterodimer between methylene cyclobutane and hydrogen chloride: Observation of an endo conformer Lesarri A, Blanco S, Lopez JC, Alonso JL
4124 - 4134	A globally smooth ab initio potential surface of the 1 A' state for the reaction S(D-1)+H-2 Ho TS, Hollebeek T, Rabitz H, Der Chao S, Skodje RT, Zyubin AS, Mebel AM
4135 - 4141	Exploring the Bermuda triangle of homonuclear diatomic spectroscopy: The electronic spectrum and structure of Ge-2 Hostutler DA, Li H, Clouthier DJ, Wannous G
4142 - 4161	A hierarchical family of global analytic Born-Oppenheimer potential energy surfaces for the H+H-2 reaction ranging in quality from double-zeta to the complete basis set limit Mielke SL, Garrett BC, Peterson KA
4162 - 4169	Two-photon resonant ionization spectroscopy of the allyl-h(5) and allyl-d(5) radicals: Rydberg states and ionization energies Liang CW, Chen CC, Wei CY, Chen YT
4170 - 4175	Zero electron kinetic energy spectroscopy of the XeCl- anion Lenzer T, Yourshaw I, Furlanetto MR, Pivonka NL, Neumark DM
4176 - 4183	The ultraviolet photodissociation of jet-cooled ClO and BrO radicals Zou P, Kim H, North SW
4184 - 4191	Converged five-dimensional quantum calculations for OH plus CO -> H+CO2 McCormack DA, Kroes GJ
4192 - 4201	Effects of ions on the dielectric permittivity and relaxation rate and the decoupling of ionic diffusion from dielectric relaxation in supercooled liquid and glassy 1-propanol Power G, Johari GP, Vij JK
4202 - 4211	Impurity effects on the two-phase isochoric heat capacity of fluids near the critical point Wyczalkowska AK, Anisimov MA, Sengers JV, Kim YC
4212 - 4220	Theory of dielectric constant of aqueous solutions Suresh SJ, Naik VM
4221 - 4227	An improved model for ternary nucleation of sulfuric acid-ammonia-water Napari I, Noppel M, Vehkamaki H, Kulmala M
4228 - 4231	Stability limits for a liquid of Einstein glasses Speedy RJ
4232 - 4239	Thermodynamics of a soft disk glass: The role of configurational constraints Padilla FG, Harrowell P
4240 - 4251	Multitime correlation functions for single molecule kinetics with fluctuating bottlenecks Barsegov V, Chernyak V, Mukamel S
4252 - 4265	Thermal effects in dynamics of interfaces Umantsev A
4266 - 4274	Continuous wave electron paramagnetic resonance investigation of the hyperfine structure of O-17(2)- adsorbed on the MgO surface Chiesa M, Giamello E, Paganini MC, Sojka Z, Murphy DM
4275 - 4280	Dynamical benchmarks of the nucleation kinetics of water Schenter GK, Kathmann SM, Garrett BC
4281 - 4285	The possibility of single C-H bond activation in CH4 on a MoO3-supported Pt catalyst: A density functional theory study Zhang CJ, Hu P
4286 - 4292	Theory of adsorption in a polydisperse templated porous material: Hard sphere systems Rzysko W, Sokolowski S, Pizio O
4293 - 4301	H2O adsorption on BaF2(111) at ambient temperatures Sadtchenko V, Conrad P, Ewing GE
4302 - 4310	On the efficiency of energy transfer in collisional activation of small peptides Laskin J, Futrell JH
4311 - 4316	Local reactivity index defined through the density of states describes the basicity of alkaline-exchanged zeolites Santos JC, Contreras R, Chamorro E, Fuentealba P
4317 - 4329	Simulating vapor-liquid nucleation of n-alkanes Chen B, Siepmann JI, Oh KJ, Klein ML
4330 - 4338	Conformational properties of randomly flexible heteropolymers Debnath P, Cherayil BJ
4339 - 4352	Effects of structural memory in protein reactions Barabash YM, Berezetskaya NM, Christophorov LN, Goushcha AO, Kharkyanen VN
4353 - 4365	Mechanisms of cooperativity underlying sequence-independent beta-sheet formation Guo CL, Cheung MS, Levine H, Kessler DA
4366 - 4369	Diffusion influenced end-to-end reaction of a flexible polymer chain: The memory effect Bandyopadhyay T, Ghosh SK