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15 July 1998
ISSN 0021-9606
EISSN 1089-7690
In this Issue
COMMUNICATIONS
Low temperature CO oxidation triggered by the gas-phase D atom incident on Pt(111) covered with and CO
J. Chem. Phys. 109, 869–872 (1998)
https://doi.org/10.1063/1.476626
THEORETICAL METHODS AND ALGORITHMS
Variational resonance valence bond study on the ground state of using the Heisenberg model
J. Chem. Phys. 109, 873–880 (1998)
https://doi.org/10.1063/1.476627
Derivation of the phase factor and geometrical phase for an -state degenerate system
J. Chem. Phys. 109, 891–894 (1998)
https://doi.org/10.1063/1.476629
Calculation of DFT-GIAO NMR shifts with the inclusion of spin-orbit coupling
J. Chem. Phys. 109, 895–905 (1998)
https://doi.org/10.1063/1.476630
GAS PHASE DYNAMICS AND STRUCTURE: SPECTROSCOPY, MOLECULAR INTERACTIONS, SCATTERING, AND PHOTOCHEMISTRY
Laser spectroscopy of free pentacene molecules (I): The rotational structure of the vibrationless transition
J. Chem. Phys. 109, 906–911 (1998)
https://doi.org/10.1063/1.476631
The state of revisited: Observation and analysis of high vibrational levels
J. Chem. Phys. 109, 912–918 (1998)
https://doi.org/10.1063/1.476632
The effect of spin-orbit coupling on the magnetic properties of
J. Chem. Phys. 109, 919–927 (1998)
https://doi.org/10.1063/1.476633
Anomalous enrichment of ions by laser ablation of graphite in Ar jet
J. Chem. Phys. 109, 928–931 (1998)
https://doi.org/10.1063/1.476634
All the adiabatic bound states of
J. Chem. Phys. 109, 937–941 (1998)
https://doi.org/10.1063/1.476636
Theory for magnetic linear dichroism of electronic transitions between twofold-degenerate molecular spin levels
J. Chem. Phys. 109, 942–950 (1998)
https://doi.org/10.1063/1.476637
Structures and stability of hydrated clusters of hydrogen chloride,
J. Chem. Phys. 109, 973–977 (1998)
https://doi.org/10.1063/1.476640
Absorption and fluorescence of OClO in solid Ne, Ar, and Kr. I. Vibrationally unrelaxed emission
J. Chem. Phys. 109, 978–987 (1998)
https://doi.org/10.1063/1.476668
The ground state spectroscopic parameters and molecular geometry of
J. Chem. Phys. 109, 997–1003 (1998)
https://doi.org/10.1063/1.476642
Mode-specific tunneling splittings in 9-hydroxyphenalenone: Comparison of two methods for direct tunneling dynamics
J. Chem. Phys. 109, 1004–1013 (1998)
https://doi.org/10.1063/1.476643
Dynamics of tautomerism in porphine: An instanton approach
J. Chem. Phys. 109, 1014–1024 (1998)
https://doi.org/10.1063/1.476644
Vibronic structure of the valence π-photoelectron bands in furan, pyrrole, and thiophene
J. Chem. Phys. 109, 1025–1040 (1998)
https://doi.org/10.1063/1.476645
CONDENSED PHASE DYNAMICS, STRUCTURE, AND THERMODYNAMICS: SPECTROSCOPY, REACTIONS, AND RELAXATION
Thermodynamics of water-cubic ice and other liquid-solid coexistence in nanometer-size particles
J. Chem. Phys. 109, 1070–1073 (1998)
https://doi.org/10.1063/1.476649
Phase equilibria of the modified Buckingham exponential-6 potential from Hamiltonian scaling grand canonical Monte Carlo
J. Chem. Phys. 109, 1093–1100 (1998)
https://doi.org/10.1063/1.476652
Theory for the ultrafast melting and fragmentation dynamics of small clusters after femtosecond ionization
J. Chem. Phys. 109, 1101–1110 (1998)
https://doi.org/10.1063/1.476653
Transition pathways in a many-body system: Application to hydrogen-bond breaking in water
J. Chem. Phys. 109, 1125–1133 (1998)
https://doi.org/10.1063/1.476656
SURFACES, INTERFACES, AND MATERIALS
Long range corrections to mixture properties of inhomogeneous systems
J. Chem. Phys. 109, 1134–1140 (1998)
https://doi.org/10.1063/1.476657
Classical Monte Carlo study of phase transitions in rare-gas clusters adsorbed on model surfaces
J. Chem. Phys. 109, 1141–1146 (1998)
https://doi.org/10.1063/1.476658
Capillary condensation of Lennard-Jones fluid in a slitlike pore filled with quenched disordered matrix
J. Chem. Phys. 109, 1147–1151 (1998)
https://doi.org/10.1063/1.476659
Asymmetric water-oil-amphiphile mixtures: Lamellar phases and droplet microemulsions
J. Chem. Phys. 109, 1152–1161 (1998)
https://doi.org/10.1063/1.476660
POLYMERS, BIOPOLYMERS, AND COMPLEX SYSTEMS
Conformation and dynamics of polymer chains on dirty surfaces: A discrete-to-continuum approach
J. Chem. Phys. 109, 1162–1169 (1998)
https://doi.org/10.1063/1.476661
Hydration and transport properties of aqueous solutions of α-α-trehalose
J. Chem. Phys. 109, 1170–1174 (1998)
https://doi.org/10.1063/1.476662
Molecular tailoring of thermoreversible copolymer gels: Some new mechanistic insights
J. Chem. Phys. 109, 1175–1184 (1998)
https://doi.org/10.1063/1.476663
Investigation of photoexcitations of conjugated polymer/fullerene composites embedded in conventional polymers
J. Chem. Phys. 109, 1185–1195 (1998)
https://doi.org/10.1063/1.476664
NOTES
COMMENTS
ERRATA
A theory of pitch for the hydrodynamic properties of molecules, helices, and achiral swimmers at low Reynolds number
Anderson D. S. Duraes, J. Daniel Gezelter
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
Electronic structure simulations in the cloud computing environment
Eric J. Bylaska, Ajay Panyala, et al.