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Issues
1 July 2001
ISSN 0021-9606
EISSN 1089-7690
In this Issue
COMMUNICATIONS
On the photoelectron spectrum of p-benzoquinone
J. Chem. Phys. 115, 1–4 (2001)
https://doi.org/10.1063/1.1381575
Direct observation of “dynamic” chirality by Coulomb explosion imaging
J. Chem. Phys. 115, 5–6 (2001)
https://doi.org/10.1063/1.1383793
ARTICLES
Theoretical Methods and Algorithms
Self-consistent solution of Dyson’s equation up to second order for atomic systems
J. Chem. Phys. 115, 15–25 (2001)
https://doi.org/10.1063/1.1376126
Comparison of thermostatting mechanisms in NVT and NPT simulations of decane under shear
J. Chem. Phys. 115, 43–49 (2001)
https://doi.org/10.1063/1.1376628
A new approach to the problem of noniterative corrections within the coupled-cluster framework
J. Chem. Phys. 115, 50–61 (2001)
https://doi.org/10.1063/1.1373434
Diffusion-limited reaction in one dimension: Paired and unpaired nucleation
J. Chem. Phys. 115, 73–89 (2001)
https://doi.org/10.1063/1.1372763
Symmetry-breaking and near-symmetry-breaking in three-electron-bonded radical cations
J. Chem. Phys. 115, 90–102 (2001)
https://doi.org/10.1063/1.1373427
Low lying vibrational excitation energies from equilibrium path integral simulations
J. Chem. Phys. 115, 103–114 (2001)
https://doi.org/10.1063/1.1378318
Compton scattering and the character of the hydrogen bond in ice
J. Chem. Phys. 115, 115–123 (2001)
https://doi.org/10.1063/1.1372183
Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry
Vibrational and collisional energy effects in the reaction of ammonia ions with methylamine
J. Chem. Phys. 115, 124–132 (2001)
https://doi.org/10.1063/1.1377605
The infrared spectra of and trapped in solid neon
J. Chem. Phys. 115, 166–173 (2001)
https://doi.org/10.1063/1.1370551
Ab initio potential-energy surfaces for the reactions
J. Chem. Phys. 115, 174–178 (2001)
https://doi.org/10.1063/1.1372335
Comparison of near-threshold reactivity of ground-state and spin-orbit excited chlorine atoms with methane
J. Chem. Phys. 115, 179–183 (2001)
https://doi.org/10.1063/1.1378042
Configuration interaction study of singlet excited state of thiophene and its cyano derivative oligomers
J. Chem. Phys. 115, 184–194 (2001)
https://doi.org/10.1063/1.1377876
Ab initio study of the reaction: Kinetics, mechanism and product branching probabilities
J. Chem. Phys. 115, 195–203 (2001)
https://doi.org/10.1063/1.1376128
Probing nuclear quadrupole interactions in the rotationally resolved electronic spectrum of 2-chloronaphthalene
J. Chem. Phys. 115, 225–235 (2001)
https://doi.org/10.1063/1.1376629
Assignment of the excess absorption underlying the Schumann–Runge bands of molecular oxygen
J. Chem. Phys. 115, 245–248 (2001)
https://doi.org/10.1063/1.1379335
The rovibrational structure of the Ar–CO complex from a model interaction potential
J. Chem. Phys. 115, 249–256 (2001)
https://doi.org/10.1063/1.1377604
Vibrational and rotational energy transfer in collisions of vibrationally excited HF molecules with Ar atoms
J. Chem. Phys. 115, 257–263 (2001)
https://doi.org/10.1063/1.1378815
Single- and double-photoionization cross sections of sulfur dioxide and ionic fragmentation of and
J. Chem. Phys. 115, 264–269 (2001)
https://doi.org/10.1063/1.1377024
Control of the fragmentation of excited ammonia clusters by femtosecond infrared laser pulses
J. Chem. Phys. 115, 277–284 (2001)
https://doi.org/10.1063/1.1377889
Condensed Phase Dynamics, Structure, and Thermodynamics: Spectroscopy, Reactions, and Relaxation
Polarization-selective third-order spectroscopy of coupled vibronic states
J. Chem. Phys. 115, 297–309 (2001)
https://doi.org/10.1063/1.1376144
Application of scaled nucleation theory to metallic vapor condensation
J. Chem. Phys. 115, 310–316 (2001)
https://doi.org/10.1063/1.1378069
Two-dimensional ultrafast infrared vibrational echo studies of solute–solvent interactions and dynamics
J. Chem. Phys. 115, 317–330 (2001)
https://doi.org/10.1063/1.1376423
High pressure neutron diffraction on fluid propane and a mixture of propane and methane
J. Chem. Phys. 115, 331–338 (2001)
https://doi.org/10.1063/1.1378067
Static and dynamic properties of stretched water
J. Chem. Phys. 115, 344–348 (2001)
https://doi.org/10.1063/1.1376424
Theoretical study of the protolytic dissociation of HCl in water clusters
J. Chem. Phys. 115, 349–356 (2001)
https://doi.org/10.1063/1.1377875
Melting and crystallization in Ni nanoclusters: The mesoscale regime
J. Chem. Phys. 115, 385–394 (2001)
https://doi.org/10.1063/1.1373664
Rotational echo double resonance in spin networks: Deconvolution of multiple dipole–dipole couplings
J. Chem. Phys. 115, 402–409 (2001)
https://doi.org/10.1063/1.1378040
A mode-coupling approach to the attractive interaction effect on the solute diffusion in liquids
J. Chem. Phys. 115, 422–432 (2001)
https://doi.org/10.1063/1.1379538
Surfaces, Interfaces, and Materials
Modification of diffusion coefficients in MgO(100) through the chemical properties of implanted ions
J. Chem. Phys. 115, 446–453 (2001)
https://doi.org/10.1063/1.1376379
Density functional studies on the adsorption and decomposition of on Cu(100)
J. Chem. Phys. 115, 454–465 (2001)
https://doi.org/10.1063/1.1377884
A multiple-quantum nuclear magnetic resonance study of interstitial Li clusters in
J. Chem. Phys. 115, 472–476 (2001)
https://doi.org/10.1063/1.1377014
Dynamics of the O induced reconstruction of the Rh(110) surface: A scanning tunnelling microscopy study
J. Chem. Phys. 115, 477–481 (2001)
https://doi.org/10.1063/1.1368657
Theoretical calculation for the multiplet structure of the tetrahedrally coordinated in
J. Chem. Phys. 115, 492–508 (2001)
https://doi.org/10.1063/1.1377013
On the role of electrostatics in the heterolytic splitting of covalent bonds at defective oxide surfaces
J. Chem. Phys. 115, 509–518 (2001)
https://doi.org/10.1063/1.1378308
Freezing out a Fermi resonance: A temperature dependence study of the low-energy modes of CO on Pt(111)
J. Chem. Phys. 115, 519–523 (2001)
https://doi.org/10.1063/1.1375152
Interaction of the small carboxylic acids and with Pt(111) studied with helium atom scattering
J. Chem. Phys. 115, 524–529 (2001)
https://doi.org/10.1063/1.1377887
Polymers, Biopolymers, and Complex Systems
Dilational rheology of Langmuir polymer monolayers: Poor-solvent conditions
J. Chem. Phys. 115, 530–539 (2001)
https://doi.org/10.1063/1.1373643
Multicomponent mixture of charged hard-sphere chain molecules in the polymer mean-spherical approximation
J. Chem. Phys. 115, 540–551 (2001)
https://doi.org/10.1063/1.1376426
Molecular dynamics study of polymer melt confined between walls
J. Chem. Phys. 115, 552–559 (2001)
https://doi.org/10.1063/1.1377015
Molecular dynamics studies on local ordering in amorphous polyethylene
J. Chem. Phys. 115, 560–566 (2001)
https://doi.org/10.1063/1.1378068
Nucleation of the crystalline phase of proteins in the presence of semidilute nonadsorbing polymer
J. Chem. Phys. 115, 575–579 (2001)
https://doi.org/10.1063/1.1376163
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.