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Orientational dynamics and disorder of solid adamantane as studied by infrared spectroscopy
J. Chem. Phys. 81, 5231–5238 (1984)
https://doi.org/10.1063/1.447687
Theoretical study of the correlation and relativistic effects in the shakeup in the photoelectron spectrum of cesium
J. Chem. Phys. 81, 5241–5246 (1984)
https://doi.org/10.1063/1.447689
Visible and ultraviolet emission from pulse irradiated amorphous and polycrystalline H2O ice
J. Chem. Phys. 81, 5252–5254 (1984)
https://doi.org/10.1063/1.447691
The three‐photon spectrum of the 1B2u←1A1g transition in benzene: Analysis of vibronic and rotational structure
J. Chem. Phys. 81, 5255–5265 (1984)
https://doi.org/10.1063/1.447692
19F nuclear magnetic shielding scale from gas phase studies. II
J. Chem. Phys. 81, 5266–5267 (1984)
https://doi.org/10.1063/1.447693
Orientational ordering and site structure of SiF4 trapped in rare gas solids
J. Chem. Phys. 81, 5268–5271 (1984)
https://doi.org/10.1063/1.447667
Proton magnetic resonance study of the H2–He potential energy surface
J. Chem. Phys. 81, 5275–5280 (1984)
https://doi.org/10.1063/1.447669
Model based calculations of the lattice mode spectra of ice Ih and amorphous solid water
J. Chem. Phys. 81, 5288–5301 (1984)
https://doi.org/10.1063/1.447671
Torsional potential and intramolecular dynamics in the C2H+4 photoelectron spectra
J. Chem. Phys. 81, 5302–5309 (1984)
https://doi.org/10.1063/1.447672
Optical dephasing and photon echoes from energetically and substitutionally disordered crystals
J. Chem. Phys. 81, 5310–5318 (1984)
https://doi.org/10.1063/1.447673
The high‐resolution visible overtone spectrum of CH4 and CD3H at 77 K
J. Chem. Phys. 81, 5319–5325 (1984)
https://doi.org/10.1063/1.447674
The rotational spectra, molecular structures, and 21Hg nuclear quadrupole coupling constants of HgHCl and HgDCl
J. Chem. Phys. 81, 5326–5335 (1984)
https://doi.org/10.1063/1.447675
Isolated C–H stretching vibrations of n‐alkanes: Assignments and relation to structure
J. Chem. Phys. 81, 5352–5361 (1984)
https://doi.org/10.1063/1.447677
The occurrence and stability of trivalent zirconium in orthophosphate single crystals
J. Chem. Phys. 81, 5362–5366 (1984)
https://doi.org/10.1063/1.447678
Nitrogen K‐shell photoemission and Auger emission from N2 and NO
D. W. Lindle; C. M. Truesdale; P. H. Kobrin; T. A. Ferrett; P. A. Heimann; U. Becker; H. G. Kerkhoff; D. A. Shirley
J. Chem. Phys. 81, 5375–5378 (1984)
https://doi.org/10.1063/1.447680
Microwave spectrum, structure, and π conjugation of isocyanocyclopropane
J. Chem. Phys. 81, 5379–5383 (1984)
https://doi.org/10.1063/1.447681
Systematic investigation of the Cooper minimum for the hydrogen halides
J. Chem. Phys. 81, 5389–5394 (1984)
https://doi.org/10.1063/1.447683
Theory of photon echoes from interacting impurities in crystals with inhomogeneously broadened absorption spectra
J. Chem. Phys. 81, 5395–5404 (1984)
https://doi.org/10.1063/1.447684
Laser induced fluorescence of CH3S and CD3S radicals
J. Chem. Phys. 81, 5405–5412 (1984)
https://doi.org/10.1063/1.447685
The lowest rotational transition of several isotopic forms of KrD+
J. Chem. Phys. 81, 5413–5416 (1984)
https://doi.org/10.1063/1.447640
The molecular beam spectrum and the structure of the hydrogen fluoride dimer
J. Chem. Phys. 81, 5417–5425 (1984)
https://doi.org/10.1063/1.447641
The S1(n,π*) states of cyclopentanone and cyclobutanone in a supersonic nozzle beam
J. Chem. Phys. 81, 5426–5433 (1984)
https://doi.org/10.1063/1.447642
Coherent elimination of isotropic scattering invariants in coherent Raman and hyper‐Raman spectroscopy
J. Chem. Phys. 81, 5434–5436 (1984)
https://doi.org/10.1063/1.447643
Effects of arbitrary laser or NMR pulse shapes on population inversion and coherence
J. Chem. Phys. 81, 5437–5448 (1984)
https://doi.org/10.1063/1.447644
Microwave–optical double resonance of DNO in the à 1A″ (000) state
J. Chem. Phys. 81, 5449–5452 (1984)
https://doi.org/10.1063/1.447645
A study of the rare earth ion sites in Gd3+ and Eu3+ doped CaSO4
J. Chem. Phys. 81, 5462–5470 (1984)
https://doi.org/10.1063/1.447647
Nonperturbative theory of temperature‐dependent optical dephasing in crystals. I. Acoustic or optical phonons
J. Chem. Phys. 81, 5471–5479 (1984)
https://doi.org/10.1063/1.447648
The highly excited C–H stretching states of CHD3, CHT3, and CH3D
J. Chem. Phys. 81, 5494–5507 (1984)
https://doi.org/10.1063/1.447650
Laser induced fluorescence study of the HeBr2 van der Waals complex
J. Chem. Phys. 81, 5514–5520 (1984)
https://doi.org/10.1063/1.447652
A rigid rod normal coordinate analysis, and van der Waals force field of acetylene–HCl
J. Chem. Phys. 81, 5521–5526 (1984)
https://doi.org/10.1063/1.447653
Spectroscopy of phenyltetrazine, (phenyltetrazine)2, and phenyltetrazine–Ar as studied in a supersonic free jet
J. Chem. Phys. 81, 5527–5532 (1984)
https://doi.org/10.1063/1.447654
Qualitative exact diagnostic tests for two common relaxation kinetic models
J. Chem. Phys. 81, 5546–5551 (1984)
https://doi.org/10.1063/1.447656
Photodissociation of cyanogen: Angle and velocity distributions of state resolved fragments
J. Chem. Phys. 81, 5552–5558 (1984)
https://doi.org/10.1063/1.447657
The ‘‘Fraunhofer theory’’ of rotational inelastic scattering of He on small molecules
J. Chem. Phys. 81, 5559–5569 (1984)
https://doi.org/10.1063/1.447658
Experimental evidence for metastable states of D3O and its monohydrate by neutralized ion beam spectroscopy
J. Chem. Phys. 81, 5570–5576 (1984)
https://doi.org/10.1063/1.447659
State‐to‐state vibrational excitation of I2 in collisions with He
J. Chem. Phys. 81, 5577–5585 (1984)
https://doi.org/10.1063/1.447660
Quantum mechanical differential and integral cross sections for state‐to‐state vibrational excitation of I2 by He
J. Chem. Phys. 81, 5586–5595 (1984)
https://doi.org/10.1063/1.447661
Effect of pressure on proton transfer rate in aqueous solutions: A picosecond study
J. Chem. Phys. 81, 5596–5600 (1984)
https://doi.org/10.1063/1.447662
Bimodal vibrational distribution of BaBr in the reaction Ba+CF3Br
J. Chem. Phys. 81, 5608–5612 (1984)
https://doi.org/10.1063/1.447664
A model for orientation effects in electron‐transfer reactions
J. Chem. Phys. 81, 5613–5624 (1984)
https://doi.org/10.1063/1.447665
Adiabatic long‐range rotationally inelastic collisions in Li*2(A 1Σ)–Xe: Experiment and theory
J. Chem. Phys. 81, 5625–5635 (1984)
https://doi.org/10.1063/1.447666
Simulation of the initiation of detonation in an energetic molecular crystal
J. Chem. Phys. 81, 5636–5637 (1984)
https://doi.org/10.1063/1.447613
The effect of collision energy and vibrational excitation on the reaction of C2H+2+H2
J. Chem. Phys. 81, 5638–5643 (1984)
https://doi.org/10.1063/1.447614
Cage effect in the dissociation of van der Waals complexes RgI2 (Rg=Ar, Kr, Xe): A quasiclassical trajectory study
J. Chem. Phys. 81, 5658–5665 (1984)
https://doi.org/10.1063/1.447617
Characterization of exit‐channel barriers for chemical reactions producing specific vibrational states
J. Chem. Phys. 81, 5700–5708 (1984)
https://doi.org/10.1063/1.447621
Resonances in the photodissociation of OH by absorption into coupled 2Π states: Adiabatic and diabatic formulations
J. Chem. Phys. 81, 5709–5724 (1984)
https://doi.org/10.1063/1.447622
Maximum in the translational energy dependence of the cross section for the Na+CH3I→NaI+CH3 reaction
J. Chem. Phys. 81, 5725–5729 (1984)
https://doi.org/10.1063/1.447623
Is there resonance enhancement of the cross section in very low energy collision‐induced vibrational relaxation?
J. Chem. Phys. 81, 5737–5742 (1984)
https://doi.org/10.1063/1.447625
Kinetics and mechanisms of the reactions of CH and CD with H2 and D2
J. Chem. Phys. 81, 5743–5752 (1984)
https://doi.org/10.1063/1.447626
A simple sum rule for total radiative decay rates: Comparison of quantal and classical methods for diatomics
J. Chem. Phys. 81, 5779–5785 (1984)
https://doi.org/10.1063/1.447630
Rotational tunneling in CH4 at temperatures below 1 K studied by inelastic neutron scattering
J. Chem. Phys. 81, 5799–5804 (1984)
https://doi.org/10.1063/1.447632
Thermal electron attachment to van der Waals molecules containing O2
J. Chem. Phys. 81, 5811–5818 (1984)
https://doi.org/10.1063/1.447634
Rate constants and branching fractions for xenon halide formation from Xe(3P2) and Xe(3P1) reactions
J. Chem. Phys. 81, 5830–5832 (1984)
https://doi.org/10.1063/1.447636
Quantum Monte Carlo for molecules: Green’s function and nodal release
J. Chem. Phys. 81, 5833–5844 (1984)
https://doi.org/10.1063/1.447637
Generalization of atoms‐in‐molecules theory to include independent scaling of inner and outer shells
J. Chem. Phys. 81, 5855–5863 (1984)
https://doi.org/10.1063/1.447586
The metal–carbonyl bond in Ni(CO)4 and Fe(CO)5: A clear‐cut analysis
J. Chem. Phys. 81, 5889–5898 (1984)
https://doi.org/10.1063/1.447589
Calculation of optical line shapes for generalized multilevel vibronic systems
J. Chem. Phys. 81, 5899–5905 (1984)
https://doi.org/10.1063/1.447590
Theoretical studies of the photexcited state Cu atom reactions. II. The Cu*+H2→CuH+H photochemical reaction
J. Chem. Phys. 81, 5920–5927 (1984)
https://doi.org/10.1063/1.447593
The use of alpha hyperfine coupling tensors as a measure of unpaired spin density and free radical geometry
J. Chem. Phys. 81, 5928–5936 (1984)
https://doi.org/10.1063/1.447594
Empirical improvement of the anharmonic ab initio force field of methyl fluoride
J. Chem. Phys. 81, 5945–5951 (1984)
https://doi.org/10.1063/1.447596
Non‐orthonormal CI for molecular excited states. II. The zwitterionic states of terminally twisted butadiene
J. Chem. Phys. 81, 5952–5956 (1984)
https://doi.org/10.1063/1.447597
Semiclassical spectral quantization: Application to two and four coupled molecular degrees of freedom
J. Chem. Phys. 81, 5957–5975 (1984)
https://doi.org/10.1063/1.447598
A unified algebraic model description for interacting vibrational modes in ABA molecules
J. Chem. Phys. 81, 5986–5997 (1984)
https://doi.org/10.1063/1.447600
Polarizability and quadrupole moment for the lowest triplet state of H2
J. Chem. Phys. 81, 6007–6012 (1984)
https://doi.org/10.1063/1.447602
Multichannel interactions in the (1σg)2(1σu) npλ(3Πg, 3Σ+g) Rydberg structures of He2
J. Chem. Phys. 81, 6013–6025 (1984)
https://doi.org/10.1063/1.447603
Compact effective potentials and efficient shared‐exponent basis sets for the first‐ and second‐row atoms
J. Chem. Phys. 81, 6026–6033 (1984)
https://doi.org/10.1063/1.447604
Structure of ND3 solids I and II at high pressure by neutron diffraction
J. Chem. Phys. 81, 6034–6038 (1984)
https://doi.org/10.1063/1.447605
Kinetic theory of rotational relaxation in liquids: Smooth spherocylinder and rough sphere models
J. Chem. Phys. 81, 6039–6043 (1984)
https://doi.org/10.1063/1.447606
Structural characterization of soft‐core and hard‐core glasses by Delaunay tessellation
J. Chem. Phys. 81, 6044–6050 (1984)
https://doi.org/10.1063/1.447607
X‐ray diffraction study of aqueous solutions of NiSO4 and MnSO4
J. Chem. Phys. 81, 6059–6063 (1984)
https://doi.org/10.1063/1.447609
Combined translation‐rotation jumps in solid carbon dioxide
J. Chem. Phys. 81, 6064–6068 (1984)
https://doi.org/10.1063/1.447610
Magnetotropic cholesteric‐to‐nematic transition in lyotropic poly(γ‐benzyl L‐glutamate) liquid crystals in m‐cresol
J. Chem. Phys. 81, 6085–6089 (1984)
https://doi.org/10.1063/1.447559
Excitonic and solitonic states in one‐dimensional exciton–phonon systems
J. Chem. Phys. 81, 6090–6095 (1984)
https://doi.org/10.1063/1.447560
A one molecular fluid approximation for diatomic fluid mixtures
J. Chem. Phys. 81, 6096–6099 (1984)
https://doi.org/10.1063/1.447561
Energetics of long alkyl chains embedded in a crystalline matrix: (n‐C18H37NH3)2CdCl4
J. Chem. Phys. 81, 6100–6105 (1984)
https://doi.org/10.1063/1.447562
Brownian dynamics simulations: Statistical error of correlation functions
J. Chem. Phys. 81, 6106–6118 (1984)
https://doi.org/10.1063/1.447563
The dielectric properties at 9.1 GHz and nature of small polarons in nonstoichiometric uranium oxides
J. Chem. Phys. 81, 6130–6135 (1984)
https://doi.org/10.1063/1.447566
Effect of mass distribution on the isotopic thermal diffusion of substituted benzenes
J. Chem. Phys. 81, 6136–6139 (1984)
https://doi.org/10.1063/1.447567
Structure factor and direct correlation function of a fluid from finite range simulation data
J. Chem. Phys. 81, 6140–6145 (1984)
https://doi.org/10.1063/1.447568
The critical behavior of the Sugden parameter and the surface tension of simple fluids
J. Chem. Phys. 81, 6154–6165 (1984)
https://doi.org/10.1063/1.447570
Bonding and ionization energies of N–F and P–F compounds
J. Chem. Phys. 81, 6166–6175 (1984)
https://doi.org/10.1063/1.447571
The rate of nucleation in a vapor–liquid transition determined from hydrodynamic fluctuation theory
J. Chem. Phys. 81, 6191–6200 (1984)
https://doi.org/10.1063/1.447574
X‐ray diffraction study of Na+ ions coordination in sodium borate glasses
J. Chem. Phys. 81, 6201–6206 (1984)
https://doi.org/10.1063/1.447575
Hydrogen bond statistics and dynamics in water: Self‐diffusion and dielectric relaxation
J. Chem. Phys. 81, 6214–6223 (1984)
https://doi.org/10.1063/1.447577
Enhancement of intramolecular vibrational energy transfer through rotational coupling
J. Chem. Phys. 81, 6224–6231 (1984)
https://doi.org/10.1063/1.447578
Electron bombardment enhancement of the reactivity of graphite with atomic hydrogen: Threshold‐like effects
J. Chem. Phys. 81, 6244–6248 (1984)
https://doi.org/10.1063/1.447580
A mean field calculation of the librational properties of δ phase O2 monolayers on graphite
J. Chem. Phys. 81, 6249–6253 (1984)
https://doi.org/10.1063/1.447581
Measurements of the interfacial tension between nematic and isotropic phase of some cyanobiphenyls
J. Chem. Phys. 81, 6254–6258 (1984)
https://doi.org/10.1063/1.447582
Classical trajectory‐quantum forced oscillator study of gas–surface phonon scattering: He/Si(100)–(2×1)
J. Chem. Phys. 81, 6277–6280 (1984)
https://doi.org/10.1063/1.447533
Electrical double layers. VI. Image effects for divalent ions
J. Chem. Phys. 81, 6296–6300 (1984)
https://doi.org/10.1063/1.447536
Electron energy loss spectroscopy of H2S adsorbed on Ni(100)
J. Chem. Phys. 81, 6304–6309 (1984)
https://doi.org/10.1063/1.447538
Thermal positive ion production from KCl impinging upon Re: Comparison between theory and experiment
J. Chem. Phys. 81, 6310–6312 (1984)
https://doi.org/10.1063/1.447539
An elastic hinge model for dynamics of stiff chains. I. Viscoelastic properties
J. Chem. Phys. 81, 6333–6347 (1984)
https://doi.org/10.1063/1.447542
An elastic hinge model for dynamics of stiff chains. II. Transient electro‐optical properties
J. Chem. Phys. 81, 6348–6355 (1984)
https://doi.org/10.1063/1.447543
An elastic hinge model for dynamics of stiff chains. III. Viscoelastic and Kerr‐effect behavior of bent molecules
J. Chem. Phys. 81, 6356–6360 (1984)
https://doi.org/10.1063/1.447544
The phase behavior of aqueous dipalmitoyl phosphatidylcholine bilayers at very high pressures
J. Chem. Phys. 81, 6367–6370 (1984)
https://doi.org/10.1063/1.447546
Dynamics of polymer chains confined into tubes: Scaling theory and Monte Carlo simulations
J. Chem. Phys. 81, 6381–6394 (1984)
https://doi.org/10.1063/1.447549
Analytic third derivatives for self‐consistent‐field wave functions
J. Chem. Phys. 81, 6395–6396 (1984)
https://doi.org/10.1063/1.447550
Resonance rovibrational Raman scattering as a probe of unimolecular subpicosecond dynamics
J. Chem. Phys. 81, 6399–6400 (1984)
https://doi.org/10.1063/1.447532
Λ‐doublet transfer and propensities in collisions of OH (X 2Πi, v=2) with H2O
J. Chem. Phys. 81, 6400–6402 (1984)
https://doi.org/10.1063/1.447552
Frequency dependence of NMR spin lattice relaxation in bilayer membranes
J. Chem. Phys. 81, 6404–6405 (1984)
https://doi.org/10.1063/1.447554
The effect of pressure on the optical absorption edge of sulfur to 300 kbar
J. Chem. Phys. 81, 6407–6408 (1984)
https://doi.org/10.1063/1.447556
Comments on the preferential population of Λ-doublet states of the OH product from H + NO2
J. Chem. Phys. 81, 6410–6412 (1984)
https://doi.org/10.1063/1.4729761
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.