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Isomerization and unimolecular dissociation channels of the oxalic acid monomer
J. Chem. Phys. 85, 5391–5400 (1986)
https://doi.org/10.1063/1.451603
A theoretical analysis of the main effects in magnetic vibrational circular dichroism
J. Chem. Phys. 85, 5405–5413 (1986)
https://doi.org/10.1063/1.451605
Neon matrix ESR and CI theoretical investigation of 1BF+ and 11BF+: Photoionization of BF from reactive laser sputtering and high temperature sources
Lon B. Knight, Jr.; A. Ligon; S. T. Cobranchi; D. P. Cobranchi; Edward Earl; David Feller; E. R. Davidson
J. Chem. Phys. 85, 5437–5445 (1986)
https://doi.org/10.1063/1.451554
Reduction of 1+1 resonance enhanced MPI spectra to populations and alignment factors
J. Chem. Phys. 85, 5457–5468 (1986)
https://doi.org/10.1063/1.451556
Reduction of 1+1 resonance enhanced MPI spectra to population distributions: Application to the NO A 2Σ+–X 2Π system
J. Chem. Phys. 85, 5469–5479 (1986)
https://doi.org/10.1063/1.451557
Temperature dependence of 77Se, 125Te, and 19F shielding and M‐induced 19F isotope shifts in MF6 molecules
J. Chem. Phys. 85, 5480–5483 (1986)
https://doi.org/10.1063/1.451558
Rovibrational averaging of nuclear shielding in MX6‐type molecules
J. Chem. Phys. 85, 5484–5492 (1986)
https://doi.org/10.1063/1.451559
Reactive collision dynamics by far wing laser scattering: Mg+H2
J. Chem. Phys. 85, 5493–5504 (1986)
https://doi.org/10.1063/1.451560
The microwave spectrum of the K=0 states of Ar–NH3
J. Chem. Phys. 85, 5512–5518 (1986)
https://doi.org/10.1063/1.451562
Absolute intensities of infrared‐active fundamentals and combination bands of gaseous PuF6 and NpF6
J. Chem. Phys. 85, 5524–5528 (1986)
https://doi.org/10.1063/1.451564
Constant ionic state spectroscopy of N2O. Dispersed fluorescence as a probe of molecular autoionization
J. Chem. Phys. 85, 5529–5534 (1986)
https://doi.org/10.1063/1.451565
Wavelength dependent photoelectron spectra of rotationally resolved autoionizing levels of nitric oxide
J. Chem. Phys. 85, 5535–5540 (1986)
https://doi.org/10.1063/1.451566
Magnetic interactions in HCF and HSiF studied by sub‐Doppler spectroscopy
J. Chem. Phys. 85, 5541–5546 (1986)
https://doi.org/10.1063/1.451567
SU(2) coordinate geometry for semiclassical theory of rotors and oscillators
J. Chem. Phys. 85, 5560–5574 (1986)
https://doi.org/10.1063/1.451570
Gas phase kinetics of the reactions of Na and NaO with O3 and N2O
J. Chem. Phys. 85, 5584–5592 (1986)
https://doi.org/10.1063/1.451573
Vibrational energy transfer and migration processes in matrix isolated CH3F
J. Chem. Phys. 85, 5593–5610 (1986)
https://doi.org/10.1063/1.451574
Molecular dynamics of the A+BC reaction in rare gas solution
J. Chem. Phys. 85, 5625–5643 (1986)
https://doi.org/10.1063/1.451576
CCl2(Ã 1B1) radical formation in VUV photolyses of CCl4 and CBrCl3
J. Chem. Phys. 85, 5717–5722 (1986)
https://doi.org/10.1063/1.451532
Stirring and premixing effects in the oscillatory chlorite–iodide reaction
J. Chem. Phys. 85, 5733–5740 (1986)
https://doi.org/10.1063/1.451534
Homogeneous and inhomogeneous structure in the vibrational overtone spectrum of tetramethyldioxetane
J. Chem. Phys. 85, 5741–5747 (1986)
https://doi.org/10.1063/1.451535
Fragmentation of nitrous oxide by monochromatic soft x rays
J. Chem. Phys. 85, 5755–5762 (1986)
https://doi.org/10.1063/1.451537
A measurement of the average kinetic energy released during the unimolecular decomposition of argon ion clusters
J. Chem. Phys. 85, 5774–5778 (1986)
https://doi.org/10.1063/1.451539
Classical dynamics of intramolecular energy flow and overtone‐induced dissociation in HO2H and HO2D
J. Chem. Phys. 85, 5791–5804 (1986)
https://doi.org/10.1063/1.451541
Coherent pulse sequence induced control of selectivity of reactions: Exact quantum mechanical calculations
J. Chem. Phys. 85, 5805–5820 (1986)
https://doi.org/10.1063/1.451542
Random tempering of Gaussian‐type geminals. I. Atomic systems
J. Chem. Phys. 85, 5821–5825 (1986)
https://doi.org/10.1063/1.451543
Application of spectral quantization to metastable states of C 1A′DCN
J. Chem. Phys. 85, 5826–5837 (1986)
https://doi.org/10.1063/1.451544
Nondegenerate many‐body theory and the treatment of conservation principles
J. Chem. Phys. 85, 5847–5849 (1986)
https://doi.org/10.1063/1.451546
Algebraic resonance quantization of coupled anharmonic oscillators
J. Chem. Phys. 85, 5855–5869 (1986)
https://doi.org/10.1063/1.451852
Energetic consideration of the vibrational potential function in the effective nuclear charge model. VI
J. Chem. Phys. 85, 5882–5889 (1986)
https://doi.org/10.1063/1.451550
Recurrence relations for the expansion of Slater‐type orbitals about displaced centers
J. Chem. Phys. 85, 5890–5894 (1986)
https://doi.org/10.1063/1.451551
STF HF wave functions from Sc to Zn and STF HF wave function for Cu2
J. Chem. Phys. 85, 5895–5899 (1986)
https://doi.org/10.1063/1.451552
Theoretical studies of diatomic and triatomic systems containing the group IB atoms Cu, Ag, and Au
J. Chem. Phys. 85, 5900–5907 (1986)
https://doi.org/10.1063/1.451501
Eigenstate‐free, Green function, calculation of molecular absorption and fluorescence line shapes
J. Chem. Phys. 85, 5908–5923 (1986)
https://doi.org/10.1063/1.451502
Theoretical studies of the low‐lying states of ScO, ScS, VO, and VS
J. Chem. Phys. 85, 5936–5942 (1986)
https://doi.org/10.1063/1.451505
The onset of nonrigid dynamics and the melting transition in Ar7
J. Chem. Phys. 85, 5943–5954 (1986)
https://doi.org/10.1063/1.451506
Determination of the atomization energies of the gaseous molecules Nb2O4, Nb2O5, Nb4O9, and Nb4O1
J. Chem. Phys. 85, 5955–5960 (1986)
https://doi.org/10.1063/1.451507
Density functional theory of nonuniform polyatomic systems. I. General formulation
J. Chem. Phys. 85, 5971–5976 (1986)
https://doi.org/10.1063/1.451510
Density functional theory of nonuniform polyatomic systems. II. Rational closures for integral equations
J. Chem. Phys. 85, 5977–5982 (1986)
https://doi.org/10.1063/1.451511
The static structure factor for fully aligned charged rod‐like macromolecules
J. Chem. Phys. 85, 5983–5990 (1986)
https://doi.org/10.1063/1.451512
Two‐Hilbert space formulations of the quantum statistical mechanics of reactive fluids: Dimer formation and decay
J. Chem. Phys. 85, 5991–6003 (1986)
https://doi.org/10.1063/1.451513
Crystal structures and phase transition of the cyanospinel K2Hg(CN)4
J. Chem. Phys. 85, 6004–6009 (1986)
https://doi.org/10.1063/1.451514
Thermal disruption of the inherent structure of simple liquids
J. Chem. Phys. 85, 6027–6033 (1986)
https://doi.org/10.1063/1.451517
Second‐quantized molecular time scale generalized Langevin equation theory: Coupled oscillator model
J. Chem. Phys. 85, 6034–6038 (1986)
https://doi.org/10.1063/1.451518
NH+3 as a paramagnetic probe of molecular motion: Application to phase transitions in (NH4)2SO4‐type solids
J. Chem. Phys. 85, 6060–6067 (1986)
https://doi.org/10.1063/1.451522
Anomalous behavior of liquid K–Pb alloys: Excess stability, entropy, and heat capacity
J. Chem. Phys. 85, 6072–6081 (1986)
https://doi.org/10.1063/1.451524
Equality of two different formulas for the surface tension: A direct proof
J. Chem. Phys. 85, 6082–6084 (1986)
https://doi.org/10.1063/1.451525
Adsorbate ordering processes and infrared spectroscopy: An FT‐IRAS study of N2 chemisorbed on the Ni(110) surface
J. Chem. Phys. 85, 6100–6109 (1986)
https://doi.org/10.1063/1.451475
ESR studies of O−2 adsorbed on silica gel: Photoformation and rotational dynamics
J. Chem. Phys. 85, 6129–6135 (1986)
https://doi.org/10.1063/1.451478
A model for the asymptotic behavior of loop entanglement in a constrained liquid region
J. Chem. Phys. 85, 6147–6152 (1986)
https://doi.org/10.1063/1.451481
Inelastic scattering of Br2 from graphite surfaces: A Monte Carlo classical trajectory study
J. Chem. Phys. 85, 6163–6175 (1986)
https://doi.org/10.1063/1.451483
Angular distributions of H2 thermal desorption: Coverage dependence on Ni(111)
J. Chem. Phys. 85, 6186–6191 (1986)
https://doi.org/10.1063/1.451485
The effect of the heat of association on homogeneous nucleation rates in methanol vapor
J. Chem. Phys. 85, 6192–6196 (1986)
https://doi.org/10.1063/1.451486
Study of crystallization process of polymer from melt by a real‐time pulsed NMR measurement
J. Chem. Phys. 85, 6197–6209 (1986)
https://doi.org/10.1063/1.451850
Renormalization group study of Rouse–Zimm model of polymer dynamics through second order in ε
J. Chem. Phys. 85, 6210–6224 (1986)
https://doi.org/10.1063/1.451487
The assignment of cluster vibrational predissociation spectra by mass spectroscopic detection: The use of isotopes
J. Chem. Phys. 85, 6227–6228 (1986)
https://doi.org/10.1063/1.451489
Electronic energy transfer between O2 and CO dopants in Ar crystals
J. Chem. Phys. 85, 6229–6230 (1986)
https://doi.org/10.1063/1.451490
The X̃‐state spectroscopy of molecular ions: Stimulated emission pumping spectra of the diacetylene cation
J. Chem. Phys. 85, 6230–6231 (1986)
https://doi.org/10.1063/1.451491
Rotational distributions of molecular photoions following resonant excitation
J. Chem. Phys. 85, 6232–6233 (1986)
https://doi.org/10.1063/1.451492
Picosecond measurements of the dissociation rates of the nitric oxide dimer v1=1 and v4=1 levels
J. Chem. Phys. 85, 6235–6237 (1986)
https://doi.org/10.1063/1.451494
Absence of resonances in the elastic scattering of electrons in molecular solids
J. Chem. Phys. 85, 6239–6240 (1986)
https://doi.org/10.1063/1.451496
First observation of the optically inactive modes in the solid 1,4 benzoquinone
J. Chem. Phys. 85, 6246–6247 (1986)
https://doi.org/10.1063/1.451451
Two‐point distribution function for a dispersion of impenetrable spheres in a matrix
J. Chem. Phys. 85, 6248–6249 (1986)
https://doi.org/10.1063/1.451452
The STO 3G MO structure and internal rotational potential of benzophenone
J. Chem. Phys. 85, 6249–6250 (1986)
https://doi.org/10.1063/1.451453
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
Beyond the Debye–Hückel limit: Toward a general theory for concentrated electrolytes
Mohammadhasan Dinpajooh, Nadia N. Intan, et al.