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Issues
22 February 2004
ISSN 0021-9606
EISSN 1089-7690
In this Issue
COMMUNICATIONS
Molecular dynamics of glucose in solution: A quasielastic neutron scattering study
J. Chem. Phys. 120, 3527–3530 (2004)
https://doi.org/10.1063/1.1648302
Gas-phase reactions of organic radicals and diradicals with ions
J. Chem. Phys. 120, 3531–3534 (2004)
https://doi.org/10.1063/1.1648019
ARTICLES
Theoretical Methods and Algorithms
Direct determination of multipole moments of Cartesian Gaussian functions in spherical polar coordinates
J. Chem. Phys. 120, 3535–3543 (2004)
https://doi.org/10.1063/1.1642597
Density functional calculations of the vibronic structure of electronic absorption spectra
J. Chem. Phys. 120, 3544–3554 (2004)
https://doi.org/10.1063/1.1642595
Assessing the efficiency of free energy calculation methods
J. Chem. Phys. 120, 3563–3578 (2004)
https://doi.org/10.1063/1.1642607
Relativistic hydrodynamics of magnetic and dielectric fluids in interaction with the electromagnetic field
J. Chem. Phys. 120, 3598–3603 (2004)
https://doi.org/10.1063/1.1642612
Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry
Probe of bending motion following the excitation of
J. Chem. Phys. 120, 3635–3641 (2004)
https://doi.org/10.1063/1.1641783
Properties of selected diatomics using variational Monte Carlo methods
J. Chem. Phys. 120, 3642–3647 (2004)
https://doi.org/10.1063/1.1643351
Ultrafast nonadiabatic dynamics: Quasiclassical calculation of the transient photoelectron spectrum of
J. Chem. Phys. 120, 3657–3664 (2004)
https://doi.org/10.1063/1.1642584
Condensed Phase Dynamics, Structure, and Thermodynamics: Spectroscopy, Reactions, and Relaxation
Critical evaluation of approximate quantum decoherence rates for an electronic transition in methanol solution
J. Chem. Phys. 120, 3688–3698 (2004)
https://doi.org/10.1063/1.1642609
Searching for nanostructures of the cubic mesophase of liquid crystal molecules, BABH8
J. Chem. Phys. 120, 3699–3705 (2004)
https://doi.org/10.1063/1.1642614
Tunneling chemical reactions in solid parahydrogen: Direct measurement of the rate constants of at 5 K
J. Chem. Phys. 120, 3706–3715 (2004)
https://doi.org/10.1063/1.1642582
Momentum representation of the solute/bath interaction in the dynamic theory of chemical processes in condensed phase
J. Chem. Phys. 120, 3716–3725 (2004)
https://doi.org/10.1063/1.1643712
Thermal relaxation of glycerol and propylene glycol studied by photothermal spectroscopy
J. Chem. Phys. 120, 3726–3731 (2004)
https://doi.org/10.1063/1.1642613
Multicomponent nucleation: Thermodynamically consistent description of the nucleation work
J. Chem. Phys. 120, 3749–3758 (2004)
https://doi.org/10.1063/1.1643711
Thermal conductivity of solid argon from molecular dynamics simulations
J. Chem. Phys. 120, 3765–3769 (2004)
https://doi.org/10.1063/1.1642611
Determination of solvation free energies by adaptive expanded ensemble molecular dynamics
J. Chem. Phys. 120, 3770–3776 (2004)
https://doi.org/10.1063/1.1642601
Adiabatic population transfer in a liquid: Taking advantage of a decaying target state
J. Chem. Phys. 120, 3777–3786 (2004)
https://doi.org/10.1063/1.1641014
Surfaces, Interfaces, and Materials
Atomic oxygen reactions with semifluorinated and n-alkanethiolate self-assembled monolayers
J. Chem. Phys. 120, 3799–3810 (2004)
https://doi.org/10.1063/1.1640336
Performance of the τ-dependent functionals in predicting the magnetic coupling of ionic antiferromagnetic insulators
J. Chem. Phys. 120, 3811–3816 (2004)
https://doi.org/10.1063/1.1642592
Phase stability of nanocarbon in one dimension: Nanotubes versus diamond nanowires
J. Chem. Phys. 120, 3817–3821 (2004)
https://doi.org/10.1063/1.1643354
Elasticity of polyelectrolyte multilayer microcapsules
J. Chem. Phys. 120, 3822–3826 (2004)
https://doi.org/10.1063/1.1644104
Low-temperature dynamics of weakly localized Frenkel excitons in disordered linear chains
J. Chem. Phys. 120, 3827–3840 (2004)
https://doi.org/10.1063/1.1643720
Thermal expansion and impurity effects on lattice thermal conductivity of solid argon
J. Chem. Phys. 120, 3841–3846 (2004)
https://doi.org/10.1063/1.1643725
Analysis of the phase transitions in alkyl-mica by density and pressure profiles
J. Chem. Phys. 120, 3847–3854 (2004)
https://doi.org/10.1063/1.1642605
Transport properties of nitrogen in single walled carbon nanotubes
J. Chem. Phys. 120, 3855–3863 (2004)
https://doi.org/10.1063/1.1643726
Water formation on Pd(111) by reaction of oxygen with atomic and molecular hydrogen
J. Chem. Phys. 120, 3864–3870 (2004)
https://doi.org/10.1063/1.1643352
Surface vibrations in alkanethiol self-assembled monolayers of varying chain length
J. Chem. Phys. 120, 3880–3886 (2004)
https://doi.org/10.1063/1.1643353
A polarizable continuum model for molecules at diffuse interfaces
J. Chem. Phys. 120, 3893–3907 (2004)
https://doi.org/10.1063/1.1643727
Picosecond acoustic transmission measurements. II. Probing high frequency structural relaxation in supercooled glycerol
J. Chem. Phys. 120, 3919–3930 (2004)
https://doi.org/10.1063/1.1643723
Abstractive dissociation of oxygen over Al(111): A nonadiabatic quantum model
J. Chem. Phys. 120, 3931–3948 (2004)
https://doi.org/10.1063/1.1635360
Polymers, Biopolymers, and Complex Systems
Morphology of microphase separated domains in rod–coil copolymer melts
J. Chem. Phys. 120, 3949–3956 (2004)
https://doi.org/10.1063/1.1642602
Interaction between charged anisotropic macromolecules: Application to rod-like polyelectrolytes
J. Chem. Phys. 120, 3969–3982 (2004)
https://doi.org/10.1063/1.1642617
Elastic moduli of multiblock copolymers in the lamellar phase
J. Chem. Phys. 120, 3990–3996 (2004)
https://doi.org/10.1063/1.1643899
Patch size effect on diffusion and incorporation in dilute suspension of partially active spheres
J. Chem. Phys. 120, 3997–4003 (2004)
https://doi.org/10.1063/1.1642616
Competition between compaction of single chains and bundling of multiple chains in giant DNA molecules
J. Chem. Phys. 120, 4004–4011 (2004)
https://doi.org/10.1063/1.1642610
Static properties of end-tethered polymers in good solution: A comparison between different models
J. Chem. Phys. 120, 4012–4023 (2004)
https://doi.org/10.1063/1.1642615
Diffusion-diffusion correlation and exchange as a signature for local order and dynamics
J. Chem. Phys. 120, 4032–4038 (2004)
https://doi.org/10.1063/1.1642604
Linear viscoelastic analysis of formation and relaxation of azobenzene polymer gratings
J. Chem. Phys. 120, 4039–4045 (2004)
https://doi.org/10.1063/1.1642606
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.