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Site‐selective resonance fluorescence of Eu+3‐exchanged sodium β″‐alumina
J. Chem. Phys. 96, 5565–5570 (1992)
https://doi.org/10.1063/1.462892
A laser study of the blue electronic transitions of CaS
J. Chem. Phys. 96, 5571–5576 (1992)
https://doi.org/10.1063/1.462698
The rotational spectrum, internal rotation, and structure of H2O–NCCN and D2O–NCCN
J. Chem. Phys. 96, 5577–5584 (1992)
https://doi.org/10.1063/1.462699
Vibrational band oscillator strengths and dipole transition moment of the A 1Π–X 1Σ+ system of CO
J. Chem. Phys. 96, 5585–5590 (1992)
https://doi.org/10.1063/1.462700
Pressure dependence of zero‐field splittings in organic triplets. III. Vibronic systems
J. Chem. Phys. 96, 5591–5599 (1992)
https://doi.org/10.1063/1.462701
Algebraic determination of the vibrational quantum numbers of a diatomic molecule
J. Chem. Phys. 96, 5600–5603 (1992)
https://doi.org/10.1063/1.462702
SUq(2) quantum group analysis of rotational spectra of diatomic molecules
J. Chem. Phys. 96, 5614–5617 (1992)
https://doi.org/10.1063/1.462709
Photon echoes and related four‐wave‐mixing spectroscopies using phase‐locked pulses
J. Chem. Phys. 96, 5618–5629 (1992)
https://doi.org/10.1063/1.462686
Photogeneration of ions via delocalized charge transfer states. I. Xe2H+ and Xe2D+ in solid Xe
J. Chem. Phys. 96, 5630–5635 (1992)
https://doi.org/10.1063/1.462687
Optical spectra and crystal‐field analysis of europium double nitrates
J. Chem. Phys. 96, 5650–5658 (1992)
https://doi.org/10.1063/1.462664
Enhanced double‐quantum nuclear magnetic resonance in spinning solids at rotational resonance
J. Chem. Phys. 96, 5668–5677 (1992)
https://doi.org/10.1063/1.462666
Optical–optical double resonance spectroscopy of Cl2: Analysis of the 1g(3P1)–A 3Π(1u) system
J. Chem. Phys. 96, 5678–5686 (1992)
https://doi.org/10.1063/1.462667
Velocity‐gauge formalism in the theory of vibrational circular dichroism and infrared absorption
J. Chem. Phys. 96, 5687–5702 (1992)
https://doi.org/10.1063/1.462668
Sideband modeling in molecular crystals N2 and CO2
J. Chem. Phys. 96, 5703–5711 (1992)
https://doi.org/10.1063/1.462669
Rigid bender analysis of van der Waals complexes: The intermolecular bending potential of a hydrogen bond
J. Chem. Phys. 96, 5712–5725 (1992)
https://doi.org/10.1063/1.462670
State‐to‐state dynamics of atom+polyatom abstraction reactions. II. The H+C2H6/C3H8→H2(v′,J′) +C2H5/C3H7 reactions
J. Chem. Phys. 96, 5746–5757 (1992)
https://doi.org/10.1063/1.462673
Optimized calculations of reaction paths and reaction‐path functions for chemical reactions
J. Chem. Phys. 96, 5758–5772 (1992)
https://doi.org/10.1063/1.462674
Comparison of bending, C–C stretching, and collision energy effects on the reaction of C2H+2 with D2
J. Chem. Phys. 96, 5781–5788 (1992)
https://doi.org/10.1063/1.462676
Spectroscopic determination of the state‐to‐state differential cross section for inelastic collisions
J. Chem. Phys. 96, 5789–5796 (1992)
https://doi.org/10.1063/1.462677
Calculations on the rate of the ion–molecule reaction C2H+2+H2→C2H+3+H
J. Chem. Phys. 96, 5801–5807 (1992)
https://doi.org/10.1063/1.462679
Application of a multilevel Redfield theory to electron transfer in condensed phases
J. Chem. Phys. 96, 5827–5842 (1992)
https://doi.org/10.1063/1.462858
Photodissociation dynamics of doubly excited Rydberg states of molecular hydrogen
J. Chem. Phys. 96, 5843–5856 (1992)
https://doi.org/10.1063/1.462682
Photodissociation of H2O2 at 193 and 222 nm: Products and quantum yields
J. Chem. Phys. 96, 5878–5886 (1992)
https://doi.org/10.1063/1.462684
Photodissociation of HNO3 at 193, 222, and 248 nm: Products and quantum yields
J. Chem. Phys. 96, 5887–5895 (1992)
https://doi.org/10.1063/1.462685
Reversible and irreversible formulation of unimolecular reactions
J. Chem. Phys. 96, 5908–5914 (1992)
https://doi.org/10.1063/1.462689
A classical mechanical analysis of molecular motions. Resonances in transition‐state spectra of FH−2, FDH−, and FD−2
J. Chem. Phys. 96, 5915–5923 (1992)
https://doi.org/10.1063/1.462660
Effective Feynman propagators and Schrödinger equations for processes coupled to many degrees of freedom
J. Chem. Phys. 96, 5952–5957 (1992)
https://doi.org/10.1063/1.462662
Effect of skeletal relaxation on the methyl torsion potential in acetaldehyde
J. Chem. Phys. 96, 5958–5968 (1992)
https://doi.org/10.1063/1.462663
Semiclassical collision theory in the initial value representation: Efficient numerics and reactive formalism
J. Chem. Phys. 96, 5969–5982 (1992)
https://doi.org/10.1063/1.462638
Periodic Hartree–Fock studies of the properties of the Cl2/MgO (001) interface
J. Chem. Phys. 96, 6010–6017 (1992)
https://doi.org/10.1063/1.462641
Concerning analytical derivatives of kinetic and potential energies in the Hartree–Fock theory
J. Chem. Phys. 96, 6018–6025 (1992)
https://doi.org/10.1063/1.462642
Intermolecular potential of H2O⋅⋅⋅H2 in the van der Waals region. An ab initio study
J. Chem. Phys. 96, 6039–6047 (1992)
https://doi.org/10.1063/1.462645
Nonadiabatic energy corrections for the vibrational levels of the B and B′ 1Σ+u states of the H2 and D2 molecules
J. Chem. Phys. 96, 6053–6064 (1992)
https://doi.org/10.1063/1.462647
Coupled‐cluster calculations on the C2 molecule and the C+2 and C−2 molecular ions
J. Chem. Phys. 96, 6073–6084 (1992)
https://doi.org/10.1063/1.462649
Theoretical study of the electronic structure of Ar++2
J. Chem. Phys. 96, 6085–6092 (1992)
https://doi.org/10.1063/1.462650
Theoretical study of the Rydberg excited electronic states of Ar+2
J. Chem. Phys. 96, 6093–6103 (1992)
https://doi.org/10.1063/1.462651
An ab initio study of aqueous Fe2+–Fe3+ electron transfer
J. Chem. Phys. 96, 6115–6119 (1992)
https://doi.org/10.1063/1.462653
Spatial variation of a short‐lived intermediate chemical species in a Couette reactor
J. Chem. Phys. 96, 6126–6131 (1992)
https://doi.org/10.1063/1.462655
On the use of semiphenomenological closures in integral equations for classical fluids
J. Chem. Phys. 96, 6132–6137 (1992)
https://doi.org/10.1063/1.462656
Nonlinear and non‐Markovian fluctuation–dissipation processes: A Fokker–Planck treatment
J. Chem. Phys. 96, 6138–6148 (1992)
https://doi.org/10.1063/1.462657
Estimation of the chemical potential of chain molecules by simulation
J. Chem. Phys. 96, 6157–6162 (1992)
https://doi.org/10.1063/1.462658
Thermodynamic properties of fluid helium at high pressures determined from speeds of sound
J. Chem. Phys. 96, 6163–6166 (1992)
https://doi.org/10.1063/1.462659
Analysis of the network topology in liquid water and hydrogen sulphide by computer simulation
J. Chem. Phys. 96, 6167–6176 (1992)
https://doi.org/10.1063/1.462889
Oxidation of CO by oxygen on a stepped platinum surface: Identification of the reaction site
J. Chem. Phys. 96, 6191–6202 (1992)
https://doi.org/10.1063/1.462636
Vibrational energy transfer on hydrogen‐terminated vicinal Si(111) surfaces: Interadsorbate energy flow
J. Chem. Phys. 96, 6203–6212 (1992)
https://doi.org/10.1063/1.462637
Molecular dynamics simulations of ordered alkane chains physisorbed on graphite
J. Chem. Phys. 96, 6213–6221 (1992)
https://doi.org/10.1063/1.462612
Association of sidechain polymers: The self‐consistent field approach
J. Chem. Phys. 96, 6222–6228 (1992)
https://doi.org/10.1063/1.462613
Bifurcation analysis of the three‐variable model for the NO+CO reaction on Pt surfaces
J. Chem. Phys. 96, 6236–6248 (1992)
https://doi.org/10.1063/1.462615
Pretransitional nematic surface order in the isotropic phase of phenylcyclohexanes
J. Chem. Phys. 96, 6249–6256 (1992)
https://doi.org/10.1063/1.462616
Dynamic properties of concentrated solutions above the glass transition temperature
J. Chem. Phys. 96, 6274–6280 (1992)
https://doi.org/10.1063/1.462618
Energy‐ and angle‐resolved measurements of the Rh(4F9/2) and Rh(4F7/2) populations from ion bombarded Rh{100}
J. Chem. Phys. 96, 6314–6317 (1992)
https://doi.org/10.1063/1.462623
Energy loss spectroscopy of CF4 at nonzero scattering angles
J. Chem. Phys. 96, 6318–6319 (1992)
https://doi.org/10.1063/1.462624
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.
Evaluation of the MACE force field architecture: From medicinal chemistry to materials science
Dávid Péter Kovács, Ilyes Batatia, et al.