Journal of Chemical Physics

Journal of Chemical Physics, Vol.112, No.5 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (60 articles)

2059 - 2062	Observation of spin-polarized atomic photofragments through the Doppler-resolved Faraday technique Korovin KO, Picheyev BV, Vasyutinskii OS, Valipour H, Zimmermann D
2063 - 2073	A study of water clusters using the effective fragment potential and Monte Carlo simulated annealing Day PN, Pachter R, Gordon MS, Merrill GN
2074 - 2081	Determining point charge arrays that produce accurate ionic crystal fields for atomic cluster calculations Derenzo SE, Klintenberg MK, Weber MJ
2082 - 2094	Intrinsic cascading contributions to the fifth- and seventh-order electronically off-resonant Raman spectroscopies Cho MH, Blank DA, Sung J, Park K, Hahn S, Fleming GR
2095 - 2105	Reduced dynamics in spin-boson models: A method for both slow and fast bath Golosov AA, Friesner RA, Pechukas P
2106 - 2110	Subspace iteration techniques for the calculation of resonances using complex symmetric Hamiltonians Sommerfeld T, Tarantelli F
2111 - 2120	On the adiabatic to diabatic states transformation near intersections of conical intersections Yarkony DR
2121 - 2127	Nuclear dynamics in the vicinity of the crossing seam: Theory and application to vibrational spectrum of H-3 Varandas AJC, Xu ZR
2128 - 2138	Relations among the modern theories of diffusion-influenced reactions. II. Reduced distribution function theory versus modified integral encounter theory Sung JY, Lee S
2139 - 2147	Theoretical electronic absorption and natural circular dichroism spectra of (-)-trans-cyclooctene Pedersen TB, Koch H
2148 - 2154	Very high rotational excitation of CO in a cooled electric discharge through carbon monoxide Cossart-Magos C, Cossart D
2155 - 2163	Ab initio study of interactions in methylamine clusters. The significance of cooperative effects Cabaleiro-Lago EM, Rios MA
2164 - 2167	Control of photofragment velocity anisotropy by optical alignment of CH3I Sugita A, Mashino M, Kawasaki M, Matsumi Y, Gordon RJ, Bersohn R
2168 - 2175	The 1-silaketenyl radical (HSiCO): Ground and first excited electronic states Yamaguchi Y, Petraco NDK, Brown ST, Schaefer HF
2176 - 2186	Microsolvation of the methyl cation in neon: Infrared spectra and ab initio calculations of CH3+-Ne and CH3+-Ne-2 Dopfer O, Olkhov RV, Maier JP
2187 - 2194	Photochemistry of hydrogen peroxide in Kr and Xe matrixes Khriachtchev L, Pettersson M, Jolkkonen S, Pehkonen S, Rasanen M
2195 - 2203	Ab initio potential-energy surface for the He(S-1) plus NO(X (2)Pi) interaction and bound rovibrational states Klos J, Chalasinski G, Berry MT, Bukowski R, Cybulski SM
2204 - 2209	Rotational spectra and dynamics of the van der Waals adducts of neon and argon with 1,1-difluoroethylene Dell'Erba A, Melandri S, Millemaggi A, Caminati W, Favero PG
2210 - 2217	Observation of the singlet-triplet pair of the 4p Rydberg state and assignment of the Rydberg series of SO2 Xue B, Chen Y, Dai HL
2218 - 2226	Tunneling splittings in water trimer by projector Monte Carlo Blume D, Whaley KB
2227 - 2238	Spectroscopic constants of the (X)over-tilde((1)A(1)), (a)over-tilde(B-3(1)), and (A)over-tilde(B-1(1)) states of CF2, CCl2, and CBr2 and heats of formation of selected halocarbenes: An ab initio quantum chemical study Sendt K, Bacskay GB
2239 - 2250	A stochastic study of microsolvation. II. Structures of CO in small helium clusters Gianturco FA, Lewerenz M, Paesani F, Toennies JP
2251 - 2257	The application of a VUV Fourier transform spectrometer and synchrotron radiation source to measurements of: II. The delta(1,0) band of NO Imajo T, Yoshino K, Esmond JR, Parkinson WH, Thorne AP, Murray JE, Learner RCM, Cox G, Cheung ASC, Ito K, Matsui T
2258 - 2264	The structure and stability of Sb4H+ clusters: The importance of nonclassical structures Gonzalez AI, Mo O, Yanez M
2265 - 2273	Quantum calculations on the vibrational predissociation of NeBr2: Evidence for continuum resonances Stephenson TA, Halberstadt N
2274 - 2284	Relativistic configuration interaction study of the ClF molecule and its emission spectra from 0+ion-pair states Alekseyev AB, Liebermann HP, Buenker RJ, Kokh DB
2285 - 2291	Experimental proof of the case (ab) coupling hypothesis in the first excited triplet state of selenoformaldehyde (H2C=Se) Joo DL, Clouthier DJ, Judge RH
2292 - 2300	Ab initio determination of americium ionization potentials Tilson JL, Shepard R, Naleway C, Wagner AF, Ermler WC
2301 - 2307	Many-body potential and structure for rhodium clusters Chien CH, Blaisten-Barojas E, Pederson MR
2308 - 2314	Dielectric properties of materials using whispering gallery dielectric resonators: Experiments and perspectives of ultra-wideband characterization Annino G, Bertolini D, Cassettari M, Fittipaldi M, Longo I, Martinelli M
2315 - 2318	Computer simulation of the chemical potential of binary Lennard-Jones mixtures Borowko M, Zagorski R, Malijevsky A
2319 - 2324	Light scattering spectra of fast relaxation in B2O3 glass Surovtsev NV, Wiedersich JAH, Duval E, Novikov VN, Rossler E, Sokolov AP
2325 - 2338	Pump-probe spectrum of molecular assemblies of arbitrary structure and dimension Juzeliunas G, Knoester J
2339 - 2347	Coupling a polarizable water model to the hydrated ion-water interaction potential: A test on the Cr3+ hydration Martinez JM, Hernandez-Cobos J, Saint-Martin H, Pappalardo RR, Ortega-Blake I, Marcos ES
2348 - 2354	Experimental detection of nucleation rate surface singularity Anisimov MP, Nasibulin AG, Shandakov SD
2355 - 2360	Thermodynamic study of a phase transition between the ordered and disordered phases and orientational disorder in crystalline p-chloronitrobenzene Tozuka Y, Yamamura Y, Saito K, Sorai M
2361 - 2366	Lattice density functional theory predictions of order-disorder phase transitions Aranovich GL, Donohue MD
2367 - 2376	Solvation in highly nonideal solutions: A study of aqueous 1-propanol using the coumarin 153 probe Shirota H, Castner EW
2377 - 2391	Fast radio-frequency amplitude modulation in multiple-quantum magic-angle-spinning nuclear magnetic resonance: Theory and experiments Madhu PK, Goldbourt A, Frydman L, Vega S
2392 - 2398	Design of heteronuclear decoupling sequences for solids Khitrin A, Fung BM
2399 - 2409	Cahn-Hilliard theory with triple-parabolic free energy. I. Nucleation and growth of a stable crystalline phase Granasy L, Oxtoby DW
2410 - 2419	Cahn-Hilliard theory with triple-parabolic free energy. II. Nucleation and growth in the presence of a metastable crystalline phase Granasy L, Oxtoby DW
2420 - 2426	Theoretical analysis of alkali metal trapping sites in rare gas matrices Ahokas J, Kiljunen T, Eloranta J, Kunttu H
2427 - 2435	Solvent effect on vertical electronic transitions by the polarizable continuum model Cossi M, Barone V
2436 - 2443	On the nature of thermal diffusion in binary Lennard-Jones liquids Reith D, Muller-Plathe F
2444 - 2451	Chemisorption of NH3 on Si(100)-(2x1): A study by first-principles ab initio and density functional theory Loh ZH, Kang HC
2452 - 2462	Asymmetric block copolymers confined in a thin film Huinink HP, Brokken-Zijp JCM, van Dijk MA, Sevink GJA
2463 - 2469	Surface-aligned photochemistry: Aiming reactive oxygen atoms along a single crystal surface Tripa CE, Yates JT
2470 - 2478	Physical and chemical properties of high density atomic oxygen overlayers under ultrahigh vacuum conditions: (1x1)-O/Rh(111) Gibson KD, Viste M, Sanchez E, Sibener SJ
2479 - 2485	The decomposition of C-60 on nickel clusters Parks EK, Kerns KP, Koretsky GM, Nieman GC, Riley SJ
2486 - 2489	Electronic bath approach to thermal effects in ion-surface scattering Sulston KW, Goodman FO
2490 - 2497	Polarization dependence of photochromism in an N-salicylideneaniline single crystal Shen MY, Zhao LZ, Goto T, Mordzinski A
2498 - 2506	The vibrational structure of benzene adsorbed on Si(001) Staufer M, Birkenheuer U, Belling T, Nortemann F, Rosch N, Widdra W, Kostov KL, Moritz T, Menzel D
2507 - 2515	Observation of metastable atomic nitrogen adsorbed on Ru(0001) Diekhoner L, Baurichter A, Mortensen H, Luntz AC
2516 - 2522	Mean first passage time solution of the Smoluchowski equation: Application to relaxation dynamics in myoglobin Ansari A
2523 - 2532	Polymer conformations of gas-hydrate kinetic inhibitors: A small-angle neutron scattering study King HE, Hutter JL, Lin MY, Sun T
2533 - 2547	Surveying determinants of protein structure designability across different energy models and amino-acid alphabets: A consensus Buchler NEG, Goldstein RA
2548 - 2561	Friction and mobility for colloidal spheres in Stokes flow near a boundary: The multipole method and applications Cichocki B, Jones RB, Kutteh R, Wajnryb E
2562 - 2568	Reentrant condensation of DNA induced by multivalent counterions Nguyen TT, Rouzina I, Shklovskii BI
2569 - 2569	The spectroscopy and IVR dynamics of HOCl in the vOH = 6 region, probed by infrared-visible double resonance overtone excitation (vol 111, pg 123, 1999) Callegari A, Rebstein J, Muenter JS, Jost R, Rizzo TR