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Volume 74; Issue 2

The Journal of Chemical Physics

Volume 74; Issue 2

1

A theoretical study of selected singlet and triplet states of the CO molecule

Cooper, David M.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.05 MB

english, 1981

2

Configurations and dynamics of real chains. I. Polyethylene

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 973 KB

english, 1981

3

Contribution of specifically adsorbed ions, water, and impurities to the surface enhanced Raman spectroscopy (SERS) of Ag electrodes

Pettinger, Bruno

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 835 KB

english, 1981

4

Exciton–phonon coupling in a dimer: An analytic approximation for eigenvalues and eigenvectors

Friesner, Richard

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 930 KB

english, 1981

5

Quasiclassical trajectory studies of the H+H2 reaction on an accurate potential energy surface. II. Effect of initial vibration and rotation on reactivity

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 892 KB

english, 1981

6

Monte Carlo sampling techniques and the evaluation of unimolecular rate constants

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 510 KB

english, 1981

7

Potential model for the interaction of two like S state atoms involving spin symmetry

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.32 MB

english, 1981

8

Relativistic effects on bonding

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.04 MB

english, 1981

9

Energy transfer between electronically excited zinc and calcium atoms

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 394 KB

english, 1981

10

Electron spin resonance of Gd3+ in trifluorides of La, Ce, Pr, and Nd

Misra, Sushil K.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 688 KB

english, 1981

11

Phonon spectra of methane physisorbed on graphite

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 754 KB

english, 1981

12

High-pressure mechanical instability in close-packed Hooke’s-law crystals

Ladd, Anthony J. C.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 476 KB

english, 1981

13

Computer simulation of a grand canonical ensemble of rodlike molecules

Yoon, Kyonggeun

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.02 MB

english, 1981

14

Variation of chemical shielding with intermolecular interaction and rovibrational motion. V. 15N in N2

Jameson, Cynthia J.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 545 KB

english, 1981

15

The terbium chloride–aluminum chloride vapor system. II. Fluorescence

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 803 KB

english, 1981

16

Collisional energy transfer from excited polyatomic molecules produced by infrared multiple photon absorption

Baldwin, Alan C.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 609 KB

english, 1981

17

Raman intensities of sulphur α-S8

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 961 KB

english, 1981

18

A comparison between hydrogenic and Thomas–Fermi expectation values

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 467 KB

english, 1981

19

NMR study of compressed supercritical water

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 929 KB

english, 1981

20

Chemiluminescent ion–molecule reactions B++H2

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 707 KB

english, 1981

21

Spectrum and energy levels of Pr3+ in ThBr4

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 451 KB

english, 1981

22

Solvation forces in simple dense fluids. II. Effect of chemical potential

van Megen, W. J.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 460 KB

english, 1981

23

Vibrational–translational relaxation in liquid chloroform

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 509 KB

english, 1981

24

Dynamic structure factor of a dilute polymer solution: Generalized mean field approximation

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 478 KB

english, 1981

25

Perturbative examination of avoided crossings

Ramaswamy, Ramakrishna

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 613 KB

english, 1981

26

Measurement of the depolarization ratio of Rayleigh scattering at absorption bands

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 665 KB

english, 1981

27

Time-dependent diffusion coefficients

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 437 KB

english, 1981

28

Pressure dependence of the absorption spectrum of β-carotene

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 672 KB

english, 1981

29

Vibronic relaxation in molecular mixed crystals: Pentacene in naphthalene and p-terphenyl

Hesselink, Wim H.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 537 KB

english, 1981

30

Electron affinities of B, Al, Bi, and Pb

Feigerle, C. S.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 453 KB

english, 1981

31

CEPA calculations on open-shell molecules. IV. Electron correlation effects in B1 Rydberg states of H2O

Staemmler, Volker

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 810 KB

english, 1981

32

Application of perturbation theory to the crystal–melt interface

Bonissent, Alain

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 492 KB

english, 1981

33

A rapidly convergent CI expansion based on several reference configurations, using optimized correlating orbitals

Taylor, Peter R.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.52 MB

english, 1981

34

Calculation of voltage fluctuations at the Gunn instability

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 785 KB

english, 1981

35

The structure of electrolytes at charged surfaces: The primitive model

Carnie, Steven L.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 729 KB

english, 1981

36

A simple theoretical model for the van der Waals potential at intermediate distances. III. Anisotropic potentials of Ar–H2, Kr–H2, and Xe–H2

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.16 MB

english, 1981

37

A useful interpolation between static and motional narrowing limits for vibrational dephasing

Oxtoby, David W.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 361 KB

english, 1981

38

The influence of quantization on the onset of chaos in Hamiltonian systems: The Kolmogorov entropy interpretation

Kosloff, Ronnie

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.11 MB

english, 1981

39

Photolytic spectroscopy of simple molecules. II. The production of 6P atoms from the X 1Σg state of Cs2

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 838 KB

english, 1981

40

Energy redistribution observed in infrared multiphoton excited C2F5Cl

Hudgens, Jeffrey W.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 381 KB

english, 1981

41

Relaxation equations for multispin systems. II

Sanctuary, B. C.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 662 KB

english, 1981

42

Molecular models of proton pumps

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 770 KB

english, 1981

43

Surface structures and phase diagram for the H/W(001) chemisorption system

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.03 MB

english, 1981

44

The statistical mechanics of the electrical double layer: Stress tensor and contact conditions

Carnie, Steven L.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 561 KB

english, 1981

45

Stochastic theory of intramolecular energy transfer in the presence of radiation

Dougherty, Eugene P.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.14 MB

english, 1981

46

The polarized Raman spectrum of the argon diatom

Frommhold, Lothar

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 387 KB

english, 1981

47

Multiple photon excited SF6 interaction with silicon surfaces

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 870 KB

english, 1981

48

Uniform semiclassical evaluation of Franck–Condon factors and inelastic atom–atom scattering amplitudes

Connor, J. N. L.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 650 KB

english, 1981

49

The infrared spectrum of ammonia hydrate: Explanation for a reported ammonia phase

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 448 KB

english, 1981

50

Cross-relaxation rates and effective correlation distances for two randomly distributed dilute spin species

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 456 KB

english, 1981

51

A theoretical model in organic cosmochemistry

Espinosa-Müller, A.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 693 KB

english, 1981

52

Microwave, infrared, and Raman spectra, vibrational assignment, normal coordinate analysis, and barrier to internal rotation of dimethylphosphine-d3

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.06 MB

english, 1981

53

Variational transition state theory and vibrationally adiabatic transmission coefficients for kinetic isotope effects in the Cl–H–H reaction system

Garrett, Bruce C.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.30 MB

english, 1981

54

Infrared spectrum of solid hydrogen with high sensitivity spectrometers: Aspects of zero phonon transitions in solid para-hydrogen

Ivancic, William

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 364 KB

english, 1981

55

On the onset of chaotic motion in deterministic systems

Ramaswamy, Ramakrishna

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 824 KB

english, 1981

56

The terbium chloride–aluminum chloride vapor system. I. Absorption and excitation spectra

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 769 KB

english, 1981

57

SU(2) symmetry for linear polyenes

Herrick, David R.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.45 MB

english, 1981

58

The laser induced fluorescence spectrum of trapped BrCN cations

Grieman, Fred J.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 604 KB

english, 1981

59

High energy chlorine for chlorine substitution involving Walden inversion in gaseous enantiomers

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 395 KB

english, 1981

60

Effect of near-resonant energy transfer on vibrational relaxation in liquid dichloromethane–benzene mixtures

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 480 KB

english, 1981

61

Differential elastic scattering of Ne∗(3s 3P2,0) by Ar, Kr, and Xe: Optical potentials and their orbital interpretation

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.32 MB

english, 1981

62

Quantum corrections to the thermodynamic properties of adsorbed fluid phases

Glandt, Eduardo D.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 564 KB

english, 1981

63

The dipolar correlation factor, the electrostatic field, the dipole moment, and the Coulombic interaction energy of water molecules in clathrate hydrates

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.07 MB

english, 1981

64

The theory of pulsed Fourier transform microwave spectroscopy carried out in a Fabry–Perot cavity: Static gas

Campbell, E. J.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.29 MB

english, 1981

65

Helical polymer circular dichroism: Transition matrix theory for polypeptides

Rabenold, David A.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 651 KB

english, 1981

66

Theoretical study of hydrogen-bonded trimers. Three-body nonadditive interactions between ammonia molecules

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 710 KB

english, 1981

67

Two- and three-photon absorption of iodine molecules via dissociative states

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 621 KB

english, 1981

68

Diatomic molecules as perturbed Morse oscillators. VI. High-precision eigenfunctions.

Huffaker, J. N.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 541 KB

english, 1981

69

Electronic structure and dissociation curves for the ground states of Tl2 and Tl2+ from relativistic effective potential calculations

Christiansen, Phillip A.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 493 KB

english, 1981

70

Photodissociation in intense laser fields: Predissociation analogy

Bandrauk, André D.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 844 KB

english, 1981

71

Momentum eigenfunctions in the complex momentum plane. IV. The construction of local potential functions. Perturbation series

Lassettre, Edwin N.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.24 MB

english, 1981

72

Experimental determination of the lowest excited Xe2 molecular states from VUV absorption spectra

Castex, Marie-Claude

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.18 MB

english, 1981

73

A ‘‘RISM’’ theory for multicomponent molecular fluids

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 779 KB

english, 1981

74

A theoretical study of the effects of vibration on the reaction O3+NO→O2+NO2

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.07 MB

english, 1981

75

Nitrogen and deuterium nuclear quadrupole resonance in lanthanum nicotinate dihydrate

Davidson, M. M.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 615 KB

english, 1981

76

Surface-enhanced Raman spectroscopy of CO adsorbed on colloidal silver particles

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 694 KB

english, 1981

77

Dissociative and double photoionization of CO from threshold to 90 Å

Masuoka, Toshio

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 611 KB

english, 1981

78

Silicon-29 cross-polarization magic-angle sample spinning spectra in amorphous silicon–hydrogen films

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 445 KB

english, 1981

79

Photolytic spectroscopy of simple molecules. I. The production of 5 2D atoms from Cs2

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.41 MB

english, 1981

80

Fluorescence quenching in micelles: A theoretical model for the intramicellar first order quenching rate constant

Van der Auweraer, M.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 703 KB

english, 1981

81

Resonance Raman excitation profiles of lycopene

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 508 KB

english, 1981

82

A stochastic approach to the theory of intramicellar kinetics. II. Master equation for reversible reactions

Hatlee, Michael D.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.03 MB

english, 1981

83

The effective diffusion coefficient detected by dynamic light scattering

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 532 KB

english, 1981

84

On deviations in Ruedenberg energy formula for molecules

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 377 KB

english, 1981

85

EPR measurements of an alternate NO2−− defect in irradiated potassium azide

Willis, James S.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 433 KB

english, 1981

86

A study of the high Rydberg state and ion–molecule reactions of carbon disulfide using the molecular beam photoionization method

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 818 KB

english, 1981

87

The fluorescence excitation and dispersed fluorescence spectra of the van der Waals molecules I2N2 and I2N2He

Johnson, Kenneth E.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 388 KB

english, 1981

88

Infrared laser radiation effects on XeF2 interaction with silicon

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 688 KB

english, 1981

89

An experimental investigation of rare gases pressure effects on the rovibrational line intensities of HCl

Piollet-Mariel, Edmée

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 684 KB

english, 1981

90

Optical modes of trans-polyacetylene

Schügerl, F. B.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 652 KB

english, 1981

91

ESR kinetics study of the decay of low-temperature radicals in glycine and β-alanine

Smith, Clyde J.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 438 KB

english, 1981

92

High-field LMR spectra of ClO2 tuned by the avoidance of Zeeman level crossings

Uehara, Hiromichi

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 824 KB

english, 1981

93

Solutions to the Smoluchowski equation for problems involving the anisotropic diffusion or absorption of a particle

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 729 KB

english, 1981

94

Cluster dynamics: A classical trajectory study of A∗n→An−1+A

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 470 KB

english, 1981

95

S2–SO2 energy transfer studied by matrix isolation in solid argon

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 914 KB

english, 1981

96

The role of excitation in relaxation processes of non-Markovian nature

Grigolini, Paolo

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 338 KB

english, 1981

97

Desorption from solid surfaces via generalized Slater theory

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 624 KB

english, 1981

98

Liquid crystal model for hydrocarbons under shock wave conditions

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 627 KB

english, 1981

99

ESR spectra of matrix isolated potassium atom clusters

Thompson, G. A.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.09 MB

english, 1981

100

van der Waals molecules and the mechanism of dimer formation in jet-cooled CF3NO

DeKoven, Benjamin M.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 364 KB

english, 1981

101

A quasiclassical trajectory study of reagent vibrational excitation effects in the OH+H2→H2O+H reaction

Schatz, George C.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 834 KB

english, 1981

102

Intermolecular potentials for ammonia based on SCF–MO calculations

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 700 KB

english, 1981

103

Resonance Raman scattering of benzene and benzene-d6 with 212.8 nm excitation

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.02 MB

english, 1981

104

Pulsed laser stimulated field desorption of hydrogen from molybdenum

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 923 KB

english, 1981

105

The gas dynamics of a pulsed supersonic nozzle molecular source as observed with a Fabry–Perot cavity microwave spectrometer

Campbell, E. J.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 1.04 MB

english, 1981

106

Nonequilibrium time dependent theory of hot atom reactions. III. Comparison with Estrup–Wolfgang theory

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 783 KB

english, 1981

107

Tracer diffusion in polyatomic liquids

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 825 KB

english, 1981

108

Erratum: Polar bonds and polarizability in conformational energy calculations: Application of a polarization model to alkyl halides [J. Chem. Phys. 72, 2179 (1980)]

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 369 KB

english, 1981