화학공학소재연구정보센터

Journal of Chemical Physics

Journal of Chemical Physics, Vol.115, No.22 Entire volume, number list
ISSN: 0021-9606 (Print) 

In this Issue (55 articles)

10063 - 10063 Special topic: Helium nanodroplets: A novel medium for chemistry and physics - Foreword
Levy D
10064 - 10064 Special topic: Helium nanodroplets: A novel medium for chemistry and physics - Preface
Whaley B, Miller R
10065 - 10077 Experimental studies of helium droplets
Northby JA
10078 - 10089 Helium nanodroplets and trapped Bose-Einstein condensates as prototypes of finite quantum fluids
Dalfovo F, Stringari S
10090 - 10110 Helium nanodroplet isolation rovibrational spectroscopy: Methods and recent results
Callegari C, Lehmann KK, Schmied R, Scoles G
10111 - 10118 Path integral Monte Carlo applications to quantum fluids in confined geometries
Ceperley DM, Manousakis E
10119 - 10137 Electronic spectroscopy in He droplets
Stienkemeier F, Vilesov AF
10138 - 10145 Infrared spectroscopy and structures of Ar-n-HF in liquid helium nanodroplets
Nauta K, Miller RE
10146 - 10153 Superfluid solvation structure of OCS in helium clusters
Kwon Y, Whaley KB
10154 - 10160 Multipole response of doped He-3 drops
Garcias F, Serra L, Casas M, Barranco M
10161 - 10174 Dynamics of He-4 droplets
Krotscheck E, Zillich R
10175 - 10185 Nonrigidity, delocalization, spatial confinement and electronic-vibrational spectroscopy of anthracene-helium clusters
Heidenreich A, Even U, Jortner J
10186 - 10198 Quantum structure and rotational dynamics of HCN in helium clusters
Viel A, Whaley KB
10199 - 10205 Inhomogeneous broadening of the zero phonon line of phthalocyanine in superfluid helium droplets
Slenczka A, Dick B, Hartmann M, Toennies JP
10206 - 10213 Inhomogeneous line shape theory of electronic transitions for molecules embedded in superfluid helium droplets
Dick B, Slenczka A
10214 - 10219 Small doped He-3 clusters: A systematic quantum chemistry approach to fermionic nuclear wave functions and energies
Jungwirth P, Krylov AI
10220 - 10224 Rb-He exciplex formation on helium nanodroplets
Bruhl FR, Trasca RA, Ernst WE
10225 - 10238 Microsolvation and vibrational shifts of OCS in helium clusters
Paesani F, Gianturco FA, Whaley KB
10239 - 10247 Pure and alkali-ion-doped droplets of He-4
Galli DE, Buzzacchi M, Reatto L
10248 - 10253 Dissociation and suppressed ionization of H2O molecules embedded in He clusters: The role of the cluster as a cage
Kanaev AV, Museur L, Laarmann T, Monticone S, Castex MC, von Haeften K, Moller T
10254 - 10260 Rotational and vibrational dynamics of CO2 and N2O in helium nanodroplets
Nauta K, Miller RE
10261 - 10264 Asymptotic speed ratio in a free helium jet
Bruch LW, Abanov A
10265 - 10274 Photoinduced nonadiabatic dynamics in quartet Na-3 and K-3 formed using helium nanodroplet isolation
Reho JH, Higgins J, Nooijen M, Lehmann KK, Scoles G, Gutowski M
10275 - 10281 Triplet states of rubidium dimers on helium nanodroplets
Bruhl FR, Miron RA, Ernst WE
10282 - 10290 Metric-tensor flexible-cell algorithm for isothermal-isobaric molecular dynamics simulations
Hernandez E
10291 - 10302 Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals. II. Generalizations based on mass-weighting, idempotency, energy conservation and choice of initial conditions
Iyengar SS, Schlegel HB, Millam JM, Voth GA, Scuseria GE, Frisch MJ
10303 - 10311 Hydrodynamic equations for mixed quantum states. I. General formulation
Burghardt I, Cederbaum LS
10312 - 10322 Hydrodynamic equations for mixed quantum states. II. Coupled electronic states
Burghardt I, Cederbaum LS
10323 - 10334 Near-resonant absorption in the time-dependent self-consistent field and multiconfigurational self-consistent field approximations
Norman P, Bishop DM, Jensen HJA, Oddershede J
10335 - 10343 Spectral density, memory function, and mean relaxation time for resonant subsystem-reservoir interactions
Wilkie J
10344 - 10352 Geometrical derivatives and magnetic properties in atomic-orbital density-based Hartree-Fock theory
Larsen H, Helgaker T, Olsen J, Jorgensen P
10353 - 10372 The direct calculation of diabatic states based on configurational uniformity
Nakamura H, Truhlar DG
10373 - 10381 Dissociation dynamics from a de Broglie-Bohm perspective
Wang ZS, Darling GR, Holloway S
10382 - 10393 Coupled-cluster theory, pseudo-Jahn-Teller effects and conical intersections
Stanton JF
10394 - 10403 The Rydberg states of NO2: Vibrational autoionization of the nd sigma states
Petsalakis ID, Theodorakopoulos G, Child MS
10404 - 10408 Ab initio characterization of low-lying triplet state potential-energy surfaces and vibrational frequencies in the Wulf band of ozone
Xie DQ, Guo H, Peterson KA
10409 - 10416 Intervalence transition in triarylamine mixed-valence systems: A time-dependent density functional theory study
Coropceanu V, Malagoli M, Andre JM, Bredas JL
10417 - 10424 Transition strengths and potential curves for the valence transitions in Br-2 from a reanalysis of the ultraviolet-visible absorption at low resolution
Tellinghuisen J
10425 - 10430 Femtosecond multiphoton ionization of free and aggregated NaI via Rydberg states
Stibbe DT, Charron E, Suzor-Weiner A
10431 - 10437 Ab initio studies of dissociation pathways on the ground- and excited-state potential energy surfaces for formyl chloride (HClCO)
Fang WH, Liu RZ
10438 - 10449 Complete basis set extrapolation limit for electronic structure calculations: Energetic and nonenergetic properties of HeBr and HeBr2 van der Waals dimers
de Lara-Castells MP, Krems RV, Buchachenko AA, Delgado-Barrio G, Villarreal P
10450 - 10460 Ab initio study of the absorption spectra of Ag-n (n=5-8) clusters
Bonacic-Koutecky V, Veyret V, Mitric R
10461 - 10463 The thermal diffusivity of water at high pressures and temperatures
Abramson EH, Brown JM, Slutsky LJ
10464 - 10471 Fluorescence and phosphorescence resulting from electrochemical generation of triplet excitations
Burshtein AI, Neufeld AA, Ivanov KL
10472 - 10478 Phase equilibria of a near-critical ionic system. Critical exponent of the order parameter
Bianchi HL, Japas ML
10479 - 10483 Size-dependent hot-electron dynamics in small Pd-n(-)-clusters
Pontius N, Luttgens G, Bechthold PS, Neeb M, Eberhardt W
10484 - 10492 Molecular dynamics in tilted bilayer smectic phases: A proton nuclear magnetic resonance relaxometry study
Carvalho A, Sebastiao PJ, Ribeiro AC, Nguyen HT, Vilfan M
10493 - 10499 A density functional model for tuning the charge transfer between a transition metal electrode and a chemisorbed molecule via the electrode potential
Crispin X, Geskin VM, Bureau C, Lazzaroni R, Schmickler W, Bredas JL
10500 - 10508 Molecular dynamics simulation study of the properties of doubly occupied N-2 clathrate hydrates
van Klaveren EP, Michels JPJ, Schouten JA, Klug DD, Tse JS
10509 - 10517 Molecular-dynamics simulations of cluster-surface collisions: Emission of large fragments
Tomsic A, Andersson PU, Markovic N, Piskorz W, Svanberg M, Pettersson JBC
10518 - 10524 Charge transfer photodissociation of phenol on Ag(111)
Lee J, Ryu S, Ku JS, Kim SK
10525 - 10531 Kinetic pathway of lamellar -> gyroid transition: Pretransition and transient states
Imai M, Saeki A, Teramoto T, Kawaguchi A, Nakaya K, Kato T, Ito K
10533 - 10547 Dynamics of hierarchical folding on energy landscapes of hexapeptides
Levy Y, Jortner J, Becker OM
10548 - 10556 Crystal orbital calculation of coupled Hartree-Fock dynamic (hyper)polarizabilities for prototype pi-conjugated polymers
Gu FL, Bishop DM, Kirtman B
10557 - 10565 Protein denaturation in vacuo: Mechanism for centrifugal unfolding of neutral lysozyme
Arteca GA, Tapia O