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Issues
8 December 1998
ISSN 0021-9606
EISSN 1089-7690
In this Issue
COMMUNICATIONS
The bifurcation rearrangement in cyclic water clusters: Breaking and making hydrogen bonds
J. Chem. Phys. 109, 9645–9647 (1998)
https://doi.org/10.1063/1.477630
Solvent effects on the vibrational frequency of in size-selected and clusters
J. Chem. Phys. 109, 9648–9651 (1998)
https://doi.org/10.1063/1.477631
Simultaneous observation of dipole-bound and valence electron states in pyridine tetramer anion
J. Chem. Phys. 109, 9656–9659 (1998)
https://doi.org/10.1063/1.477633
THEORETICAL METHODS AND ALGORITHMS
A general finite-field scheme for the calculation of frequency-dependent electronic–vibrational hyperpolarizabilities
J. Chem. Phys. 109, 9674–9676 (1998)
https://doi.org/10.1063/1.477636
Molecular relativistic calculations of the electric field gradients at the nuclei in the hydrogen halides
J. Chem. Phys. 109, 9677–9684 (1998)
https://doi.org/10.1063/1.477637
Evaluation of analytic molecular orbital derivatives and gradients using the effective valence shell Hamiltonian method
J. Chem. Phys. 109, 9685–9693 (1998)
https://doi.org/10.1063/1.477638
Ab initio calculations with a nonspherical Gaussian basis set: Excited states of the hydrogen molecule
J. Chem. Phys. 109, 9694–9700 (1998)
https://doi.org/10.1063/1.477639
GAS PHASE DYNAMICS AND STRUCTURE: SPECTROSCOPY, MOLECULAR INTERACTIONS, SCATTERING, AND PHOTOCHEMISTRY
High-resolution laser spectroscopy of just above the conical intersection: Transitions of stacks
J. Chem. Phys. 109, 9701–9712 (1998)
https://doi.org/10.1063/1.477640
Interpolated potential energy surface and dynamics for the reactions between and
J. Chem. Phys. 109, 9728–9736 (1998)
https://doi.org/10.1063/1.477643
Electronic structure of vanadium tetramer ion studied by optical absorption spectroscopy
J. Chem. Phys. 109, 9737–9743 (1998)
https://doi.org/10.1063/1.477679
π-systems as lithium/hydrogen bond acceptors: Some theoretical observations
J. Chem. Phys. 109, 9820–9830 (1998)
https://doi.org/10.1063/1.477651
CONDENSED PHASE DYNAMICS, STRUCTURE, AND THERMODYNAMICS: SPECTROSCOPY, REACTIONS, AND RELAXATION
Shape of dielectric relaxation curves of ethylene glycol oligomer–water mixtures
J. Chem. Phys. 109, 9843–9847 (1998)
https://doi.org/10.1063/1.477653
Statistical theory of cluster cooling in rare gas. I. Energy transfer analysis for palladium clusters in helium
J. Chem. Phys. 109, 9848–9858 (1998)
https://doi.org/10.1063/1.477654
The nature of the “vibrational modes” of the network-forming liquid
J. Chem. Phys. 109, 9859–9869 (1998)
https://doi.org/10.1063/1.477655
Nuclear magnetic resonance and molecular dynamics study of methanol up to the supercritical region
J. Chem. Phys. 109, 9879–9887 (1998)
https://doi.org/10.1063/1.477656
Computer simulation study of gas–liquid nucleation in a Lennard-Jones system
J. Chem. Phys. 109, 9901–9918 (1998)
https://doi.org/10.1063/1.477658
Numerical study of gas–liquid nucleation in partially miscible binary mixtures
J. Chem. Phys. 109, 9919–9927 (1998)
https://doi.org/10.1063/1.477682
Does solvation cause symmetry breaking in the ion in aqueous solution?
J. Chem. Phys. 109, 9928–9937 (1998)
https://doi.org/10.1063/1.477659
SURFACES, INTERFACES, AND MATERIALS
Surface kinetics of a nonlinear oxygen-induced phase transition on Ir{100}
J. Chem. Phys. 109, 9967–9976 (1998)
https://doi.org/10.1063/1.477663
Self-interaction-corrected band structure calculations for intracavity electrons in electro-sodalite
J. Chem. Phys. 109, 9977–9986 (1998)
https://doi.org/10.1063/1.477664
Influence of restricted environment and ionic interactions on water solvation dynamics
J. Chem. Phys. 109, 9995–10003 (1998)
https://doi.org/10.1063/1.477666
Critical embryo phase transitions in the nucleated binary glycerin–carbon dioxide system
J. Chem. Phys. 109, 10004–10010 (1998)
https://doi.org/10.1063/1.477667
POLYMERS, BIOPOLYMERS, AND COMPLEX SYSTEMS
Segmental motion of entangled random coil polymers studied by pulsed gradient spin echo nuclear magnetic resonance
J. Chem. Phys. 109, 10053–10067 (1998)
https://doi.org/10.1063/1.477674
Response of the elastic properties of colloidal crystals to phase transitions and morphological changes
J. Chem. Phys. 109, 10068–10074 (1998)
https://doi.org/10.1063/1.477675
The pair of soliton-like distortions in organic ferromagnetic conjugated polymers
J. Chem. Phys. 109, 10082–10086 (1998)
https://doi.org/10.1063/1.477676
GENERAL CHEMICAL PHYSICS
The Amsterdam Modeling Suite
Evert Jan Baerends, Nestor F. Aguirre, et al.
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.