Journal of Chemical Physics

Journal of Chemical Physics, Vol.113, No.6 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (60 articles)

2053 - 2055	Identical collision partners in the coherent control of bimolecular reactions Brumer P, Bergmann K, Shapiro M
2056 - 2059	Nuclear magnetic resonance quantum computing exploiting the pure spin state of para hydrogen Hubler P, Bargon J, Glaser SJ
2060 - 2063	Localized excess negative charges in surface states of the clean Ga-rich GaAs(100)c(8x2)/4x2 reconstruction as imaged by scanning tunneling microscopy Kruse P, McLean JG, Kummel AC
2064 - 2067	Adsorbate phase transformations and the coverage-dependent oscillation of electron transfer probabilities Staicu-Casagrande EM, Guillemot L, Lacombe S, Esaulov VA, Canepa M, Mattera L, Pasquali L, Nannarone S
2068 - 2078	Unified approach to the Bloch-Redfield theory and quantum Fokker-Planck equations Yan YJ, Shuang F, Xu RX, Cheng JX, Li XQ, Yang C, Zhang HY
2079 - 2087	Efficient viscosity estimation from molecular dynamics simulation via momentum impulse relaxation Arya G, Maginn EJ, Chang HC
2088 - 2099	An efficient method for calculating molecular excitation energies by time-dependent density-functional theory Heinze HH, Gorling A, Rosch N
2100 - 2108	Gradients in valence bond theory Dijkstra F, van Lenthe JH
2109 - 2115	Hamilton-Jacobi equation and Poissonian gluing for an inhomogeneous autocatalytic reaction Gaveau B, Latremoliere D, Moreau M
2116 - 2123	Direct observation of the 2 (3)Pi(u) state of Rb-2 in a pulsed molecular beam: Rotational branch intensity anomalies in the 2 (3)Pi(u)(1(u))-X (1)Sigma(+)(g)(0(g)(+)) bands Lee Y, Yoon Y, Baek SJ, Joo DL, Ryu JS, Kim B
2124 - 2133	A semiclassical study of the photodissociation dynamics of a coupled two-surface model of HCl+ by an intense laser field in the long-wavelength limit Gill R, Yanagawa R, Thachuk M
2134 - 2138	Experimental transition dipole moment for the four lowest Delta v=1 bands of ArH+ in the (1)Sigma(+) fundamental state Picque N, Guelachvili G, Civis S
2139 - 2144	The structure of O-3-CH4 and the implications for the O+CH4 precursor-initiated reaction Walker ARH, Fraser GT, Suenram RD, Lovas FJ
2145 - 2158	Comparative study of He-3, Ne-3, and Ar-3 using hyperspherical coordinates Blume D, Greene CH, Esry BD
2159 - 2167	Low-energy electron attachment to fused 1,4-cyclohexadiene rings by means of electron transmission spectroscopy and exponent stabilization calculations Venuti M, Modelli A
2168 - 2174	pi()-sigma() hyperconjugation mechanism on the rotational barrier of the methyl group (I): Substituted toluenes in the ground, excited, and anionic states Nakai H, Kawai M
2175 - 2181	Experimental and theoretical study of the photofragmentation process: Ar-3(+)+h nu -> Ar-2(+)+Ar Kirkwood DA, Woodward CA, Mouhandes A, Stace AJ, Bastida A, Zuniga J, Requena A, Gadea FX
2182 - 2187	An optical-optical double resonance study of the perturbed O-2 d3s sigma(g)((1)Pi(g)) Rydberg state excited via single rotational levels of the b((1)Sigma(+)(g)) valence state O'Keeffe P, Ridley T, Lawley KP, Donovan RJ, Telle HH, Beddows DCS, Urena AG
2188 - 2198	Role of vibronic interactions in the electronic properties of a silicon cluster, (SiH)(8) Kato T, Yoshizawa K, Yamabe T
2199 - 2202	Comparison of static polarizabilities of Cu-n, Na-n, and Li-n (n <= 9) clusters Calaminici P, Koster AM, Vela A, Jug K
2203 - 2213	Ground state isoconfigurational mixing in the V-2, VNb, and Nb-2 molecules O'Brien TA, Albert K, Zerner MC
2214 - 2223	Relations between Rydberg-valence interactions in the O-2 molecule Lewis BR, Gibson ST, Banerjee SS, Lefebvre-Brion H
2224 - 2232	Hydration of cis- and trans-platin: A pseudopotential treatment in the frame of a G3-type theory for platinum complexes Burda JV, Zeizinger M, Sponer J, Leszczynski J
2233 - 2237	Absorption, excitation, and resonance raman spectra of Ce-2, Pr-2, and Nd-2 Shen XL, Fang L, Chen XY, Lombardi JR
2238 - 2249	Density functional study of stoichiometric and O-rich titanium oxygen clusters Albaret T, Finocchi F, Noguera C
2250 - 2254	Absolute cross section for the formation of Si(S-1) atoms following electron impact dissociation of SiH4 Abramzon N, Martus KE, Becker K
2255 - 2262	Photodissociation dynamics of the triiodide anion (I-3(-)) Choi H, Bise RT, Hoops AA, Neumark DM
2263 - 2269	Collisional dependence of polarization spectroscopy with a picosecond laser Reichardt TA, Di Teodoro F, Farrow RL, Roy S, Lucht RP
2270 - 2281	Electronic structure determination of chromium boride cation, CrB+ Kalemos A, Mavridis A
2282 - 2289	Potential-energy surfaces related to the thermal decomposition of ethyl azide: The role of intersystem crossings Arenas JF, Marcos JI, Lopez-Tocon I, Otero JC, Soto J
2290 - 2303	Resonant ion-dip infrared spectroscopy of benzene-(water)(9): Expanding the cube Gruenloh CJ, Carney JR, Hagemeister FC, Zwier TS, Wood JT, Jordan KD
2304 - 2318	IR spectra of tropolone(OH) and tropolone(OD) Redington RL, Redington TE, Montgomery JM
2319 - 2335	H atom and heavy atom tunneling processes in tropolone Redington RL
2336 - 2342	A simplification of selective control using field optimized initial state with application to HI and IBr photodissociation Vandana K, Mishra MK
2343 - 2348	Small angle neutron scattering study on the salt-induced phase separation of 1-propanol aqueous solution Yoshida K, Misawa M, Maruyama K, Imai M, Furusaka M
2349 - 2353	Model of hydrophobic attraction in two and three dimensions Barkema GT, Widom B
2354 - 2359	Transitioning model potentials to real systems. II. Application to molecular oxygen Bembenek SD, Rice BM
2360 - 2368	Solvation in binary mixtures of dipolar hard sphere solvents: Theory and simulations Morillo M, Denk C, Sanchez-Burgos F, Sanchez A
2369 - 2384	Structure and discrimination in chiral fluids: A molecular dynamics and integral equation study Cann NM, Das B
2385 - 2396	Derivation of rate expressions for nonadiabatic proton-coupled electron transfer reactions in solution Soudackov A, Hammes-Schiffer S
2397 - 2399	Atomic force microscopy study of oscillatory surface roughening in anodic dissolution of sputter-deposited nickel films Saitou M, Makabe A, Tomoyose T
2400 - 2406	Structure of a model lubricant in a mica slit pore Curry JE
2407 - 2412	An experimental study of poly(9,9-dioctyl-fluorene) and its interfaces with Li, Al, and LiF Greczynski G, Fahlman M, Salaneck WR
2413 - 2418	Molecular packing changes of alkanethiols monolayers on Au(111) under applied pressure Barrena E, Ocal C, Salmeron M
2419 - 2422	Influence of hydrogen on the stability of positively charged silicon dioxide clusters Schenkel T, Schlatholter T, Newman MW, Machicoane GA, McDonald JW, Hamza AV
2423 - 2429	Chemical structure of dihydride phase on saturated H-chemisorbed Si surfaces Watanabe S
2430 - 2439	Electrically induced dynamic processes in nematic liquid crystals: H-1 nuclear magnetic resonance investigations Bender M, Holstein P, Geschke D
2440 - 2446	Si-H bending modes as a probe of local chemical structure: Thermal and chemical routes to decomposition of H2O on Si(100)-(2x1) Weldon MK, Queeney KT, Gurevich AB, Stefanov BB, Chabal YJ, Raghavachari K
2447 - 2455	Application of density functional perturbation theory to pure fluid liquid-vapor interfaces Wadewitz T, Winkelmann J
2456 - 2469	Dissociation of fast N-2 molecules scattered from different fcc(110) surfaces Bruning K, Heiland W, Schlatholter T, Wojciechowski IA, Medvedeva MB, Ferleger VK
2470 - 2478	Trapping-mediated chemisorption of disilane on Si(100)-2x1 Ferguson BA, Reeves CT, Safarik DJ, Mullins CB
2479 - 2483	Phase behavior of end-functionalized polymers confined between two surfaces Kuznetsov DV, Balazs AC
2484 - 2488	Shear thinning of suspensions of sterically stabilized spheres studied by Stokesian dynamics simulations Schaink HM, Nommensen PA, Jongschaap RJJ, Mellema J
2489 - 2496	Biased Monte Carlo optimization of protein sequences Cootes AP, Curmi PMG, Torda AE
2497 - 2503	Covalent bond force profile and cleavage in a single polymer chain Garnier L, Gauthier-Manuel B, van der Vegte EW, Snijders J, Hadziioannou G
2504 - 2505	Asymptotic behavior of line shifts in the 0-0 and 0-1 bands of HF in a bath of argon: Influence of vibration-rotation coupling Grigoriev IM, Filippov NN, Tonkov MV, Boulet C, Boissoles J
2506 - 2507	Comment on "Four-component relativistic density functional calculations of heavy diatomic molecules" [J. Chem. Phys. 112, 3499 (2000)] Liu WJ, van Wullen C
2508 - 2508	Response to "Comment on 'Four-component relativistic density functional calculations of heavy diatomic molecules' " [J. Chem. Phys. 113, 2506 (2000)] Varga S, Fricke B, Nakamatsu H, Mukoyama T, Anton J, Geschke D, Heitmann A, Engel E, Bastug T
2509 - 2509	An energy-based mapping method for identifying the in-plane orientations of polypeptides and other macromolecules at crystalline interfaces (vol 112, pg 5144, 2000) Dai YH, Evans JS
2510 - 2511	Polarization around an ion in a dielectric continuum with truncated electrostatic interactions (vol 110, pg 10679, 1999) Baker NA, Hunenberger PH, McCammon JA