화학공학소재연구정보센터

Journal of Chemical Physics

Journal of Chemical Physics, Vol.121, No.17 Entire volume, number list
ISSN: 0021-9606 (Print) 

In this Issue (61 articles)

8175 - 8178 Formally exact quantization condition for nonrelativistic quantum systems
Ou YC, Cao ZQ, Shen QS
8179 - 8182 The Kawasaki identity and the fluctuation theorem
Carberry DM, Williams SR, Wang GM, Sevick EM, Evans DJ
8183 - 8186 Calculation of single-beam two-photon absorption rate of lanthanides: Effective operator method and perturbative expansion
Duan CK, Ruan G, Reid MF
8187 - 8193 Effect of the Perdew-Zunger self-interaction correction on the thermochemical performance of approximate density functionals
Vydrov OA, Scuseria GE
8194 - 8200 A theoretical study of the excited states of CrH: Potential energies, transition moments, and lifetimes
Ghigo G, Roos BO, Stancil PC, Weck PF
8201 - 8211 Mass-independent isotope effect in the earliest processed solids in the solar system: A possible chemical mechanism
Marcus RA
8212 - 8220 Structure, stability, and spectra of C9H3, C11H3, and C13H3 radicals
Zhang CJ
8221 - 8230 An Anderson impurity model for efficient sampling of adiabatic potential energy surfaces of transition metal complexes
LaBute MX, Endres RG, Cox DL
8231 - 8236 Observation of Au2H- impurity in pure gold clusters and implications for the anomalous Au-Au distances in gold nanowires
Zhai HJ, Kiran B, Wang LS
8237 - 8245 Infrared depletion spectra of 2-aminopyridine center dot 2-pyridone, a Watson-Crick mimic of adenine center dot uracil
Frey JA, Muller A, Frey HM, Leutwyler S
8246 - 8252 Normal Auger spectra of Br in alkali bromide molecules
Hu ZF, Calo A, Nikkinen J, Matila T, Kukk E, Aksela H, Aksela S
8253 - 8260 One- and two-photon absorption of three-coordinate compounds with different centers (B,Al,N) and a 2,2'-dipyridylnitrogen functional group
Liu XJ, Feng JK, Ren AM, Cheng H, Zhou X
8261 - 8270 Potential energy surface, bound states, and rotational inelastic cross sections of the He-CH4 system: A theoretical investigation
Calderoni G, Cargnoni F, Martinazzo R, Raimondi M
8271 - 8278 Experimental and theoretical investigations of rate coefficients of the reaction S(P-3)+O-2 in the temperature range 298-878 K
Lu CW, Wu YJ, Lee YP, Zhu RS, Lin MC
8279 - 8290 Potential energy curves of diatomic molecular ions from high-resolution photoelectron spectra. II. The first six electronic states of Xe-2(+)
Rupper P, Zehnder O, Merkt F
8291 - 8298 Organo-noble-gas hydride compounds HKrCCH, HXeCCH, HXeCC, and HXeCCXeH: Formation mechanisms and effect of C-13 isotope substitution on the vibrational properties
Tanskanen H, Khriachtchev L, Lundell J, Rasanen M
8299 - 8306 A first principles study on the solvation and structure of SO42-(H2O)(n), n=6-12
Gao B, Liu ZF
8307 - 8320 The mechanism of proton exchange: Guided ion beam studies of the reactions, H(H2O)(n)(+) (n=1-4)+D2O and D(D2O)(n)(+) (n=1-4)+H2O
Honma K, Armentrout PB
8321 - 8328 Observation of rotamers of m-aminobenzoic acid: Zero kinetic energy photoelectron and hole-burning resonantly enhanced multiphoton ionization spectroscopy
He YG, Wu CY, Kong W
8329 - 8342 Electron and nuclear dynamics of molecular clusters in ultraintense laser fields. IV. Coulomb explosion of molecular heteroclusters
Last I, Jortner J
8343 - 8350 Cluster size effects in core excitons of 1s-excited nitrogen
Flesch R, Kosugi N, Bradeanu IL, Neville JJ, Ruhl E
8351 - 8359 Fourier transform microwave spectroscopy and Fourier transform microwave-millimeter wave double resonance spectroscopy of the ClOO radical
Suma K, Sumiyoshi Y, Endo Y
8360 - 8368 Characterizing the later 3d cyanides: The submillimeter spectrum of CoCN(X (3)Phi(i))
Sheridan PM, Flory MA, Ziurys LM
8369 - 8374 Icosahedral gold cage clusters: M@Au-12(-) (M = V, Nb, and Ta)
Zhai HJ, Li J, Wang LS
8375 - 8384 Spectroscopy and reactivity of size-selected Mg+-ammonia clusters
Lee JI, Sperry DC, Farrar JM
8385 - 8392 Perturbations in the pure rotational spectrum of CoCl (X (3)Phi(i)): A submillimeter study
Flory MA, Halfen DT, Ziurys LM
8393 - 8398 On the interatomic Coulombic decay in the Ne dimer
Scheit S, Averbukh V, Meyer HD, Moiseyev N, Santra R, Sommerfeld T, Zobeley J, Cederbaum LS
8399 - 8409 Comparison of the dehalogenation of polyhalomethanes and production of strong acids in aqueous and salt (NaCl) water environments: Ultraviolet photolysis of CH2I2
Guan XG, Du Y, Li YL, Kwok WM, Phillips DL
8410 - 8414 A simple method for the preparation of pseudopure states in nuclear magnetic resonance quantum information processing
Fung BM, Ermakov VL
8415 - 8422 On the mechanical properties and phase behavior of silica: A simple model based on low coordination and strong association
Ford MH, Auerbach SM, Monson PA
8423 - 8427 High pressure-temperature Raman measurements of H2O melting to 22 GPa and 900 K
Lin JF, Militzer B, Struzhkin VV, Gregoryanz E, Hemley RJ, Mao HK
8428 - 8429 Tests for thermodynamic state of water's high-density amorph
Johari GP
8430 - 8434 High density amorphous ices: Disordered water towards close packing
Saitta AM, Strassle T, Rousse G, Hamel G, Klotz S, Nelmes RJ, Loveday JS
8435 - 8445 Solvent effects on the n ->pi(*) electronic transition in formaldehyde: A combined coupled cluster/molecular dynamics study
Kongsted J, Osted A, Mikkelsen KV, Astrand PO, Christiansen O
8446 - 8457 Potential energy surfaces and dynamics of Ni2+ ion aqueous solution: Molecular dynamics simulation of the electronic absorption spectrum
Iuchi S, Morita A, Kato S
8458 - 8465 Molecular dynamics and theory for the contact values of the radial distribution functions of hard-disk fluid mixtures
Luding S, Santos A
8466 - 8480 Simple DFT model of clusters embedded in rare gas matrix: Trapping sites and spectroscopic properties of Na embedded in Ar
Gervais B, Giglio E, Jacquet E, Ipatov A, Reinhard PG, Suraud E
8481 - 8485 Hydrogen adsorption on zigzag (8,0) boron nitride nanotubes
Wu XJ, Yang JL, Hou JG, Zhu QS
8486 - 8499 Experimental isotherms of HCl on H2O ice under stratospheric conditions: Connections between bulk and interfacial thermodynamics
Henson BF, Wilson KR, Robinson JM, Noble CA, Casson JL, Worsnop DR
8500 - 8502 Structure and stability of Al13I clusters
Han YK, Jung JH
8503 - 8510 Molecular dynamics simulations of amphiphilic graft copolymer molecules at a water/air interface
Anderson PM, Wilson MR
8511 - 8523 Modeling steps and kinks on the surface of calcite
Kristensen R, Stipp SLS, Refson K
8524 - 8531 Thermodynamics and statistical mechanics of multilayer adsorption
Pradas MM, Sanchez MS, Ferrer GG, Ribelles JLG
8532 - 8536 Infrared spectroscopy of oxygen adsorbed on hydrogen covered Pt(111)
Gustafsson K, Andersson S
8537 - 8541 Thermoelectric transport properties in atomic scale conductors
Zheng XH, Zheng W, Wei YD, Zeng Z, Wang J
8542 - 8546 Polarized absorption of quaterthiophene single crystals
Tavazzi S, Borghesi A, Laicini M, Spearman P
8547 - 8561 Kinetics of electron-induced decomposition of CF2Cl2 coadsorbed with water (ice): A comparison with CCl4
Faradzhev NS, Perry CC, Kusmierek DO, Fairbrother DH, Madey TE
8562 - 8570 A molecular interpretation of vitreous boron oxide dynamics
Fullerton SK, Maranas JK
8571 - 8579 Molecular dynamics of transient oil flows in nanopores I: Imbibition speeds for single wall carbon nanotubes
Supple S, Quirke N
8580 - 8588 Collisional line shapes for low frequency vibrations of adsorbates on a metal surface
Vega JL, Guantes R, Miret-Artes S, Micha DA
8589 - 8593 Ionization and solvation of HCl adsorbed on the D2O-ice surface
Kondo M, Kawanowa H, Gotoh Y, Souda R
8594 - 8601 Extended version of the van der Waals capillarity theory
Baidakov VG, Boltachev GS
8602 - 8610 High T-g photorefractive polymers: Influence of the chromophores' beta tensor
Acebal P, Blaya S, Carretero L
8611 - 8617 Some issues on the calculation of interfacial properties by molecular simulation
Duque D, Vega LF
8618 - 8626 Simulation of electric double layers with multivalent counterions: Ion size effect
Quesada-Perez M, Martin-Molina A, Hidalgo-Alvarez R
8627 - 8634 Influence of a depletion interaction on dynamical heterogeneity in a dense quasi-two-dimensional colloid liquid
Ho HM, Cui BX, Repel S, Lin BH, Rice SA
8635 - 8641 Dynamics of polymer packaging
Ali I, Marenduzzo D, Yeomans JM
8642 - 8646 Effect of confinement on coil-globule transition
Mishra PK, Kumar S
8647 - 8651 Molecular origin of demixing, prior to crystallization, of atactic polypropylene/isotactic polypropylene blends upon cooling from the melt
Choi P, Mattice WL
8652 - 8657 Effect of branching and confinement on star-branched polymeric systems
Maury-Evertsz JR, Estevez LA, Lopez GE
8658 - 8660 On the behavior of the volume viscosity of atom-molecule mixtures
Ern A, Dickinson AS, Vesovic V