Journal of Chemical Physics

Journal

Publication Venue For

  • The stability and oxidation of supported atomic-size Cu catalysts in reactive environments.  151:054702-054702. 2019
  • Diffusion network of CO in FeFe-Hydrogenase..  149:204108. 2018
  • Mechanisms of bridge-mediated electron transfer: a TDDFT electronic dynamics study..  137:22A512. 2012
  • On the gauge invariance of nonperturbative electronic dynamics using the time-dependent Hartree-Fock and time-dependent Kohn-Sham..  135:164101. 2011
  • Surface hopping with Ehrenfest excited potential..  135:144102. 2011
  • Efficient first-principles electronic dynamics..  134:184102. 2011
  • Open-system electronic dynamics and thermalized electronic structure..  134:024118. 2011
  • Self-assembly of long chain alkanes and their derivatives on graphite..  128:124709. 2008
  • Semiclassical treatments for small-molecule dynamics in low-temperature crystals using fixed and adiabatic vibrational bases..  127:114502. 2007
  • Toward uniform nanotubular compounds: synthetic approach and ab initio calculations..  124:121102. 2006
  • Phase changes in Lennard-Jones mixed clusters with composition Ar(n)Xe(6-n) (n=0,1,2)..  123:94505. 2005
  • (2+1) resonance-enhanced ionization spectroscopy of a state-selected beam of OH radicals..  123:074309. 2005
  • Fluorescence-dip infrared spectroscopy and predissociation dynamics of OH A 2Sigma+ (v = 4) radicals..  122:244313. 2005
  • Evidence for partial quenching of orbital angular momentum upon complex formation in the infrared spectrum of OH-acetylene..  121:5845-5851. 2004
  • Infrared spectrum and stability of a pi-type hydrogen-bonded complex between the OH and C2H2 reactants..  121:3009-3018. 2004
  • Photodissociation of the OD radical at 226 and 243 nm.  119:9341-9343. 2003
  • Hot atom reaction yields in Mu(*)+H-2 and T-*+H-2 from quasiclassical trajectory cross sections on the Liu-Siegbahn-Truhlar-Horowitz surface.  112:9390-9403. 2000
  • Optimal annealing schedules for two-, three-, and four-level systems using a genetic algorithm approach.  112:7964-7978. 2000
  • A study of genetic algorithm approaches to global geometry optimization of aromatic hydrocarbon microclusters.  108:2208-2218. 1998
  • Structure of Na(3 P-2)-Ar-n clusters using semiempirical potentials.  108:308-316. 1998
  • Global geometry optimization of atomic clusters using a modified genetic algorithm in space-fixed coordinates.  105:4700-4706. 1996
  • QUANTUM EFFECTS IN AR+HF ROTATIONALLY INELASTIC-SCATTERING - A SEMICLASSICAL INTERPRETATION.  100:304-314. 1994
  • CLUSTER CATALYZED CHEMISORPTION OF H-2 ON SI(111)(1X1) - EFFECTS OF COLLISION SPEED AND CLUSTER GEOMETRY.  99:6667-6676. 1993
  • EVALUATION OF THERMAL RATES FOR REACTIONS WITH INTERMEDIATE WELLS - REMOVAL OF BOUND-STATE CONTRIBUTIONS TO QUANTUM FLUX CORRELATION-FUNCTIONS.  99:3516-3525. 1993
  • THE EFFECT OF REAGENT ROTATION ON CHEMICAL-REACTIVITY - F + H-2 REVISITED.  91:6906-6918. 1989
  • A STATIONARY PHASE STUDY OF MJ RAINBOWS IN MOLECULE-CORRUGATED SURFACE SCATTERING.  89:6515-6522. 1988
  • THE EFFECT OF REAGENT ROTATION IN THE REACTION OH(J)+H2(J')-]H2O+H.  88:7424-7433. 1988
  • THE EFFECT OF OH ROTATION ON THE REACTION OH(V=0,J)+H-2-]H20+H.  87:3698-3699. 1987
  • MOLECULAR-BEAM SCATTERING MEASUREMENTS OF DIFFERENTIAL CROSS-SECTIONS FOR D+H2(V=0)-]HD+H AT ECM=1.5 EV.  85:6396-6419. 1986
  • DYNAMICS OF NONADIABATIC REACTIONS (THEORY) .1. BRANCHING RATIOS FOR EARLY AND LATE SEAMS.  82:161-169. 1985
  • DYNAMICS OF NONADIABATIC REACTIONS (THEORY) .2. PRODUCT VIBRATIONAL-EXCITATION.  82:170-174. 1985
  • MOLECULAR-BEAM MEASUREMENTS OF DIFFERENTIAL CROSS-SECTIONS FOR THE REACTION D+H2-]HD+HATECM=1.0EV.  80:2230-2232. 1984
  • ROTATIONAL ENERGY-TRANSFER IN H + H-2(V) INELASTIC-COLLISIONS.  81:2684-2688. 1984
  • SPECTROSCOPY OF THE TRANSITION-STATE (THEORY) .2. ABSORPTION BY H-3 TRANSITION-STATE IN H+H-2-]H3 TRANSITION-STATE -] H-2+H.  80:4025-4034. 1984
  • REACTIVE CROSS-SECTIONS FOR ISOTOPIC VARIANTS OF THE H'+H''BR ABSTRACTION REACTION - A CLASSICAL TRAJECTORY STUDY.  76:938-944. 1982
  • QUASICLASSICAL TRAJECTORY STUDIES OF THE H+H-2 REACTION ON AN ACCURATE POTENTIAL-ENERGY SURFACE .3. COMPARISON OF RATE CONSTANTS AND CROSS-SECTIONS WITH EXPERIMENT.  75:1794-1803. 1981
  • QUASICLASSICAL TRAJECTORY STUDIES OF THE H+H2 REACTION ON AN ACCURATE POTENTIAL-ENERGY SURFACE .2. EFFECT OF INITIAL VIBRATION AND ROTATION ON REACTIVITY.  74:1017-1025. 1981
  • VIBRATIONAL RAINBOWS.  75:196-202. 1981
  • QUASICLASSICAL TRAJECTORY STUDIES OF H+H-2 ON AN ACCURATE POTENTIAL-ENERGY SURFACE .1. ISOTOPE EFFECTS.  73:217-225. 1980
  • QUASICLASSICAL CROSS-SECTIONS FOR THE H+H2(O,O)-]H+H2 REACTION - COMPARISON OF THE SIEGBAHN-LIU-TRUHLAR-HOROWITZ AND THE PORTER-KARPLUS POTENTIAL SURFACES.  70:5314-5315. 1979
  • Has Subject Area

    International Standard Serial Number (issn)

  • 0021-9606
  • Electronic International Standard Serial Number (eissn)

  • 1089-7690