Journal of Chemical Physics

Journal

Publication Venue For

  • 57Fe Mössbauer isomer shift of pure iron and iron oxides at high pressure—An experimental and theoretical study.  154. 2021
  • Phase separation of triethylamine and water in native and organically modified silica nanopores.  147. 2017
  • Infrared spectra and band strengths of amorphous and crystalline N2O.  146. 2017
  • Mechanisms for pressure-induced crystal-crystal transition, amorphization, and devitrification of SnI4.  143. 2015
  • Biexciton formation and exciton coherent coupling in layered GaSe.  142. 2015
  • Exploring two-dimensional electron gases with two-dimensional Fourier transform spectroscopy.  141. 2014
  • Reduction of chemical reaction networks through delay distributions.  138. 2013
  • 1,1-diamino-2,2-dinitroethylene under high pressure-temperature.  137. 2012
  • Correction factors for boundary diffusion in reaction-diffusion master equations.  135. 2011
  • The effect of hydrogen bonding on the diffusion of water in n -alkanes and n -alcohols measured with a novel single microdroplet method.  132. 2010
  • Generalized binomial τ-leap method for biochemical kinetics incorporating both delay and intrinsic noise.  128. 2008
  • Binomial tau-leap spatial stochastic simulation algorithm for applications in chemical kinetics.  127. 2007
  • Dissociative electron attachment to CCl4: Lifetime of the CCl4-* intermediate.  104:8485-8489. 1996
  • Infrared absorption of cis- and trans-alkali-metal peroxynitrites (MOONO, M=Li, Na, and K) in solid argon.  103:4026-4034. 1995
  • Velocity dependence of free ion production in K(np)-C2Cl 4, CS2, and O2 collisions: Internal-to- translational energy transfer.  101:5672-5676. 1994
  • Velocity dependence of associative ion production in K (np)-C 6H6 collisions.  99:184-186. 1993
  • Ammonia alane.  96:5310-5317. 1992
  • Structure and energetics of the lowest 1A1 and 1B1 states of dichlorocarbene.  94:2063-2067. 1991
  • An assessment for the full coupled cluster method including all single, double, and triple excitations: The diatomic molecules LIH, Li2, BH, LiF, C2, BeO, CN+, BF, NO+, and F2.  92:568-573. 1990
  • Classical and nonclassical forms of the vinyl cation: A coupled cluster study.  92:3653-3658. 1990
  • Silaketene: A product of the reaction between silylene and carbon monoxide?.  90:1031-1035. 1989
  • The reaction of methane with molecular oxygen: A semiquantitative estimate of the activation energy.  90:6391-6394. 1989
  • UHF natural orbitals for defining and starting MC-SCF calculations.  88:4926-4933. 1988
  • Electron affinities in the self-interaction-corrected local spin density approximation.  86:2849-2853. 1987
  • Density functional theory of bound states of positrons in negative ions.  84:1659-1663. 1986
  • Direct inversion in the iterative subspace (DIIS) optimization of open-shell, excited-state, and small multiconfiguration SCF wave functions.  84:5728-5734. 1985
  • Rotational tunneling linewidth studies by NMR polarization transfer experiment: Estimates of the interaction among tunneling CH3 groups in Ge(CH3)4.  82:4886-4892. 1985
  • An improved self-interaction-corrected local spin density functional for atoms.  78:4562-4566. 1983
  • Density functional calculations for atoms in the first transition series.  79:2265-2269. 1983
  • Dynamics of carbon monoxide binding to protoheme.  65:4701-4711. 1976
  • Fourier transform NMR in the rotating frame.  63:4329-4335. 1975
  • Intermolecular nuclear Overhauser effects in AnBn spin systems with asymmetric relaxation.  59:4569-4570. 1973
  • Intermolecular nuclear Overhauser effects in AnBn spin systems with asymmetric relaxation.  4567-4568. 1970
  • Wide-line NMR study of molecular motion in [Me3SiNSiMe 2]2.  45:1954-1960. 1966

    • International Standard Serial Number (issn)

  • 0021-9606

    • Electronic International Standard Serial Number (eissn)

  • 1089-7690