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Issues
8 November 1998
ISSN 0021-9606
EISSN 1089-7690
In this Issue
COMMUNICATIONS
State to state recoil anisotropies in the photodissociation of deuterated ammonia
J. Chem. Phys. 109, 7659–7662 (1998)
https://doi.org/10.1063/1.477411
Polarization energy distribution for impurity molecules in dense gases
J. Chem. Phys. 109, 7663–7666 (1998)
https://doi.org/10.1063/1.477412
THEORETICAL METHODS AND ALGORITHMS
Finite-difference methods for simulation models incorporating nonconservative forces
J. Chem. Phys. 109, 7667–7677 (1998)
https://doi.org/10.1063/1.477413
How to mesh up Ewald sums. I. A theoretical and numerical comparison of various particle mesh routines
J. Chem. Phys. 109, 7678–7693 (1998)
https://doi.org/10.1063/1.477414
How to mesh up Ewald sums. II. An accurate error estimate for the particle–particle–particle-mesh algorithm
J. Chem. Phys. 109, 7694–7701 (1998)
https://doi.org/10.1063/1.477415
Three-dimensional nonperturbative analytic model of vibrational energy transfer in atom–molecule collisions
J. Chem. Phys. 109, 7711–7724 (1998)
https://doi.org/10.1063/1.477417
Density functional calculations of molecular polarizabilities and hyperpolarizabilities
J. Chem. Phys. 109, 7756–7763 (1998)
https://doi.org/10.1063/1.477421
Gaussian-3 (G3) theory for molecules containing first and second-row atoms
J. Chem. Phys. 109, 7764–7776 (1998)
https://doi.org/10.1063/1.477422
GAS PHASE DYNAMICS AND STRUCTURE: SPECTROSCOPY, MOLECULAR INTERACTIONS, SCATTERING, AND PHOTOCHEMISTRY
Spectroscopic characterization of the unusually strongly bound, doubly excited van der Waals state,
J. Chem. Phys. 109, 7777–7783 (1998)
https://doi.org/10.1063/1.477423
193 nm photodynamics of NO in rare gas matrices: Fluorescence, thermoluminescence, and photodissociation
J. Chem. Phys. 109, 7784–7792 (1998)
https://doi.org/10.1063/1.477424
The rotationally resolved infrared spectrum of the stretch of the allyl radical
J. Chem. Phys. 109, 7803–7809 (1998)
https://doi.org/10.1063/1.477426
Photodissociation of CH stretch overtone excited and Cl spin–orbit branching and atomic fragment yields
J. Chem. Phys. 109, 7810–7820 (1998)
https://doi.org/10.1063/1.477427
Kinetic investigation of the quenching of atoms in collisions with over the temperature range from 660 to 850 K
J. Chem. Phys. 109, 7821–7826 (1998)
https://doi.org/10.1063/1.477428
The electronic spectrum of monoiodosilylene (HSiI) revisited
J. Chem. Phys. 109, 7827–7834 (1998)
https://doi.org/10.1063/1.477429
Emission spectroscopy of jet-cooled upon excitation of the transition in the 48 500–51 000 region
J. Chem. Phys. 109, 7835–7843 (1998)
https://doi.org/10.1063/1.477430
Resonance-enhanced multiphoton ionization photoelectron spectroscopy of Rydberg states of below the ionization limit
J. Chem. Phys. 109, 7844–7850 (1998)
https://doi.org/10.1063/1.477431
First spectroscopic investigation of the transition metal monocarbide MoC
J. Chem. Phys. 109, 7851–7862 (1998)
https://doi.org/10.1063/1.477432
Resonant two-photon ionization spectroscopy of jet-cooled RuC
J. Chem. Phys. 109, 7863–7875 (1998)
https://doi.org/10.1063/1.477433
CONDENSED PHASE DYNAMICS, STRUCTURE, AND THERMODYNAMICS: SPECTROSCOPY, REACTIONS, AND RELAXATION
A novel dynamic free-volume theory for molecular diffusion in fluids and interphases
J. Chem. Phys. 109, 7876–7884 (1998)
https://doi.org/10.1063/1.477434
Bimodality of the viscoelastic response of a dense liquid and comparison with the frictional responses at short times
J. Chem. Phys. 109, 7885–7892 (1998)
https://doi.org/10.1063/1.477435
Nuclear magnetic resonance relaxation measurements in electrolyte solutions containing
J. Chem. Phys. 109, 7893–7900 (1998)
https://doi.org/10.1063/1.477436
Glass formation and local disorder: Amorphization in planar clusters
J. Chem. Phys. 109, 7901–7906 (1998)
https://doi.org/10.1063/1.477437
Specific heat and transport “anomalies” in mixed alkali glasses
J. Chem. Phys. 109, 7907–7912 (1998)
https://doi.org/10.1063/1.477438
Nonresonant intermolecular spectroscopy beyond the Placzek approximation. II. Fifth-order spectroscopy
J. Chem. Phys. 109, 7913–7922 (1998)
https://doi.org/10.1063/1.477439
Charge-transfer exciton band structure in the fullerene crystal-model calculations
J. Chem. Phys. 109, 7923–7931 (1998)
https://doi.org/10.1063/1.477626
Theoretical interpretation of the electroabsorption spectrum of fullerene films
J. Chem. Phys. 109, 7932–7939 (1998)
https://doi.org/10.1063/1.477440
The surface constraint all atom model provides size independent results in calculations of hydration free energies
J. Chem. Phys. 109, 7940–7944 (1998)
https://doi.org/10.1063/1.477441
Probing molecular site structure in low-temperature matrices: An EXAFS study of carbonyl sulfide in solid argon
J. Chem. Phys. 109, 7945–7948 (1998)
https://doi.org/10.1063/1.477442
Optical response functions for condensed systems with linear and quadratic electron–vibration coupling
J. Chem. Phys. 109, 7949–7960 (1998)
https://doi.org/10.1063/1.477443
Nucleation in -alkanes: A density-functional approach
J. Chem. Phys. 109, 7982–7990 (1998)
https://doi.org/10.1063/1.477445
Solubility of nonpolar solutes in water: Computer simulations using the CF1 central force model
J. Chem. Phys. 109, 7991–8002 (1998)
https://doi.org/10.1063/1.477446
SURFACES, INTERFACES, AND MATERIALS
Nonthermal photodesorption of from Ag(111)
J. Chem. Phys. 109, 8016–8026 (1998)
https://doi.org/10.1063/1.477449
Diffraction and rotational transitions in the scattering of from Cu(001) at energies up to 250 meV
J. Chem. Phys. 109, 8036–8044 (1998)
https://doi.org/10.1063/1.477451
Spectroscopic evidence for perturbed NO dimers on oxidized Mo(110)
J. Chem. Phys. 109, 8058–8061 (1998)
https://doi.org/10.1063/1.477452
Influence of the interaction on oscillatory behavior in a surface reaction model
J. Chem. Phys. 109, 8069–8075 (1998)
https://doi.org/10.1063/1.477454
Model for the electrostatic response of the copper–water interface
J. Chem. Phys. 109, 8076–8080 (1998)
https://doi.org/10.1063/1.477455
POLYMERS, BIOPOLYMERS, AND COMPLEX SYSTEMS
Orientational correlation of liquid–crystalline polymer chains in isotropic solutions. I. Anisotropic light scattering
J. Chem. Phys. 109, 8081–8086 (1998)
https://doi.org/10.1063/1.477456
Absorption and spontaneous emission in aggregates of conjugated polymers
J. Chem. Phys. 109, 8087–8101 (1998)
https://doi.org/10.1063/1.477457
Alternating current conductivity and electrical conductivity relaxation in an intercalated polymer electrolyte
J. Chem. Phys. 109, 8102–8108 (1998)
https://doi.org/10.1063/1.477458
Arrhenius and non-Arrhenius conductivities in intercalated polymer electrolytes
J. Chem. Phys. 109, 8109–8117 (1998)
https://doi.org/10.1063/1.477459
Anomalous conformational behavior of poly(ethylene oxide) oligomers in aqueous solutions. A molecular dynamics study
J. Chem. Phys. 109, 8118–8123 (1998)
https://doi.org/10.1063/1.477460
GENERAL CHEMICAL PHYSICS
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.