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