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Pressure‐induced disappearance of the in‐plane lattice distortion in layered cupric chloride: (C2H5NH3)2CuCl4
J. Chem. Phys. 101, 1763–1766 (1994)
https://doi.org/10.1063/1.467754
Cage‐to‐cage migration rates of Xe atoms in zeolite NaA from magnetization transfer experiments and simulations
J. Chem. Phys. 101, 1775–1786 (1994)
https://doi.org/10.1063/1.467756
Triplet‐state photoexcitations of oligothiophene films and solutions
J. Chem. Phys. 101, 1787–1798 (1994)
https://doi.org/10.1063/1.467757
Anomalous pressure effects on the Raman spectra in hydrogen‐bonded molecular chain systems
J. Chem. Phys. 101, 1813–1819 (1994)
https://doi.org/10.1063/1.467760
Many‐body potentials of an open shell atom: Spectroscopy of spin–orbit transitions of iodine in crystalline Xe and Kr
J. Chem. Phys. 101, 1820–1831 (1994)
https://doi.org/10.1063/1.467761
Franck–Condon modeling of the structure of the S→S2 transition of trans, trans‐, cis, trans‐, and cis, cis‐octatetraene
J. Chem. Phys. 101, 1842–1851 (1994)
https://doi.org/10.1063/1.467695
Three‐dimensional variable‐angle nuclear magnetic resonance exchange spectroscopy without rotor axis hopping
J. Chem. Phys. 101, 1852–1864 (1994)
https://doi.org/10.1063/1.467696
Molecular spectroscopy with light pulses of arbitrary pulse shape and field strength: A nonperturbative approach
J. Chem. Phys. 101, 1865–1877 (1994)
https://doi.org/10.1063/1.467697
Experimental study of the CO:O3 complex in argon matrices: Irradiation at 266 nm
J. Chem. Phys. 101, 1878–1884 (1994)
https://doi.org/10.1063/1.467698
Stark energy levels of symmetric top dipoles: Analytical expressions for arbitrary field strengths
J. Chem. Phys. 101, 1885–1889 (1994)
https://doi.org/10.1063/1.467699
Overtone resonance Raman scattering beyond the Condon approximation: Transform theory and vibronic properties
J. Chem. Phys. 101, 1890–1903 (1994)
https://doi.org/10.1063/1.468434
Stationary approaches for solving the Schrödinger equation with time‐dependent Hamiltonians
J. Chem. Phys. 101, 1904–1913 (1994)
https://doi.org/10.1063/1.467700
Electronic structure of the copper(II) ion doped in cubic KZnF3
J. Chem. Phys. 101, 1930–1938 (1994)
https://doi.org/10.1063/1.467703
Atom–molecule van der Waals complexes containing open‐shell atoms. I. General theory and bending levels
J. Chem. Phys. 101, 1939–1958 (1994)
https://doi.org/10.1063/1.467704
Photodissociation dynamics of NH2OH from the first absorption band
J. Chem. Phys. 101, 1988–1995 (1994)
https://doi.org/10.1063/1.467708
Trajectory simulations for unimolecular dissociations with application to the dissociation of NCNO
J. Chem. Phys. 101, 1996–2005 (1994)
https://doi.org/10.1063/1.467709
The reactive flux method in the energy diffusion regime. I. Effect of slow vibrational energy relaxation
J. Chem. Phys. 101, 2006–2015 (1994)
https://doi.org/10.1063/1.467710
Reactions of velocity‐aligned atoms probed by Doppler profiles: H+O2→OH+O
J. Chem. Phys. 101, 2033–2050 (1994)
https://doi.org/10.1063/1.467712
Fluctuations in absorption spectra and final product state distributions following photodissociation processes
J. Chem. Phys. 101, 2051–2068 (1994)
https://doi.org/10.1063/1.467713
Studies on dynamics of Mu reaction with NO2 by muon spin resonance and relaxation techniques
J. Chem. Phys. 101, 2091–2097 (1994)
https://doi.org/10.1063/1.467716
The structures, energies, vibrational, and rotational frequencies, and dissociation energy of GeH+5
J. Chem. Phys. 101, 2141–2147 (1994)
https://doi.org/10.1063/1.467720
Locating transition states by quadratic image gradient descent on potential energy surfaces
J. Chem. Phys. 101, 2157–2167 (1994)
https://doi.org/10.1063/1.467721
A simple prediction of approximate transition states on potential energy surfaces
J. Chem. Phys. 101, 2168–2174 (1994)
https://doi.org/10.1063/1.467722
Vibrational corrections for some electric and magnetic properties of H2, N2, HF, and CO
J. Chem. Phys. 101, 2180–2185 (1994)
https://doi.org/10.1063/1.467724
Coupled‐cluster calculations of indirect nuclear coupling constants: The importance of non‐Fermi contact contributions
J. Chem. Phys. 101, 2186–2191 (1994)
https://doi.org/10.1063/1.467725
A theoretical study on the ionization of pyrrole with analysis of vibrational structure of the photoelectron spectra
J. Chem. Phys. 101, 2198–2204 (1994)
https://doi.org/10.1063/1.467727
General strategy for the ab initio calculation of exchange coupling in polynuclear complexes
J. Chem. Phys. 101, 2205–2212 (1994)
https://doi.org/10.1063/1.467660
Energy levels and structure of tetra‐atomic van der Waals clusters
J. Chem. Phys. 101, 2217–2230 (1994)
https://doi.org/10.1063/1.467662
Quantum chemical study of lithium–C60 clusters
J. Chem. Phys. 101, 2244–2249 (1994)
https://doi.org/10.1063/1.467664
Cross sections for molecular aggregation with positional and orientational restrictions
J. Chem. Phys. 101, 2267–2272 (1994)
https://doi.org/10.1063/1.467667
Absolute entropy of simple point charge model water by adiabatic switching processes
J. Chem. Phys. 101, 2302–2308 (1994)
https://doi.org/10.1063/1.467670
Condensation of a supersaturated vapor IX. Nucleation on ions
J. Chem. Phys. 101, 2309–2318 (1994)
https://doi.org/10.1063/1.467671
From ionic aqueous solvation shell to bulk fluid: A structural‐energetic stability problem
J. Chem. Phys. 101, 2319–2328 (1994)
https://doi.org/10.1063/1.467672
Lattice theory of solvation and dissociation in macromolecular fluids. II. Quasichemical approximation
J. Chem. Phys. 101, 2338–2349 (1994)
https://doi.org/10.1063/1.467674
Detailed thermal study of the rotator phase of pure heptacosane (n‐C27H56) by alternating current calorimetry
J. Chem. Phys. 101, 2365–2371 (1994)
https://doi.org/10.1063/1.467677
The role of excitons in argon cluster ion decay
J. Chem. Phys. 101, 2372–2378 (1994)
https://doi.org/10.1063/1.467678
The structure of water at a planar wall: An integral equation approach with the central force model
J. Chem. Phys. 101, 2379–2390 (1994)
https://doi.org/10.1063/1.467679
Frustration‐limited clusters in liquids
J. Chem. Phys. 101, 2391–2397 (1994)
https://doi.org/10.1063/1.468414
Toward a molecular theory of vapor phase nucleation. IV. Rate theory using the modified liquid drop model
J. Chem. Phys. 101, 2398–2406 (1994)
https://doi.org/10.1063/1.467680
Solvent‐induced forces between solutes: A time‐ and space‐resolved molecular dynamics study
J. Chem. Phys. 101, 2407–2420 (1994)
https://doi.org/10.1063/1.467681
Quantum stochastic approach for molecule/surface scattering. II. Adsorption resonances of He atoms on Xe overlayers
J. Chem. Phys. 101, 2446–2454 (1994)
https://doi.org/10.1063/1.467684
Remark concerning the theory of the tilting transition in expanded Langmuir monolayers
J. Chem. Phys. 101, 2508–2514 (1994)
https://doi.org/10.1063/1.467690
A conformational interpretation for the peak of reduced viscosity for polyelectrolytes at low ionic strength
J. Chem. Phys. 101, 2515–2521 (1994)
https://doi.org/10.1063/1.468473
Analytical model for the microscopic nonaffine deformation of polymer networks
J. Chem. Phys. 101, 2532–2538 (1994)
https://doi.org/10.1063/1.467692
The thermal roughening of liquid surfaces and its effect on gas–liquid collisions
J. Chem. Phys. 101, 2539–2547 (1994)
https://doi.org/10.1063/1.467693
Torsional time correlation function for one‐dimensional systems with barrier crossing: Periodic potential
J. Chem. Phys. 101, 2554–2561 (1994)
https://doi.org/10.1063/1.467628
Forces between polyelectrolyte coated surfaces in the presence of electrolyte
J. Chem. Phys. 101, 2569–2576 (1994)
https://doi.org/10.1063/1.467630
Quantum Monte Carlo studies of small B(H2)n clusters
J. Chem. Phys. 101, 2577–2591 (1994)
https://doi.org/10.1063/1.468432
Small angle neutron scattering from polymer blends in the dilute concentration limit
J. Chem. Phys. 101, 2592–2599 (1994)
https://doi.org/10.1063/1.467631
On the mechanism and surface morphology of gallium arsenide laser‐assisted etching by chlorine at 193 nm
J. Chem. Phys. 101, 2600–2605 (1994)
https://doi.org/10.1063/1.467632
Stick to slip transition and adhesion of lubricated surfaces in moving contact
J. Chem. Phys. 101, 2606–2615 (1994)
https://doi.org/10.1063/1.467633
Near ultraviolet photolysis of C2H2: A precise determination of D(HCC−H)
J. Chem. Phys. 101, 2630–2631 (1994)
https://doi.org/10.1063/1.467635
Molecular hyperfine structure in the photoassociation spectroscopy of laser cooled atoms
J. Chem. Phys. 101, 2634–2637 (1994)
https://doi.org/10.1063/1.467637
Photoassociative spectroscopy of 1g, 0+u, and 0−g states of Na2
J. Chem. Phys. 101, 2638–2641 (1994)
https://doi.org/10.1063/1.467638
A redetermination of the dissociation energy of MgO+
J. Chem. Phys. 101, 2644–2645 (1994)
https://doi.org/10.1063/1.467640
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.