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Upconversion dynamics of doped
J. Chem. Phys. 107, 2169–2174 (1997)
https://doi.org/10.1063/1.474597
Bond energies of and from resonant two-color photoionization thresholds
J. Chem. Phys. 107, 2180–2186 (1997)
https://doi.org/10.1063/1.474627
Measurements of the structure of methyltrioxorhenium using microwave spectroscopy
J. Chem. Phys. 107, 2187–2192 (1997)
https://doi.org/10.1063/1.474618
Ground-state intermolecular spectroscopy and pendular states in benzene–argon
J. Chem. Phys. 107, 2193–2204 (1997)
https://doi.org/10.1063/1.474599
Vibrational structure in atomic emission spectra: Hg atoms in molecular matrices
J. Chem. Phys. 107, 2205–2214 (1997)
https://doi.org/10.1063/1.474600
Ultrafast vibrational relaxation of diatomic chalcogen hydrides in alkali halides
J. Chem. Phys. 107, 2215–2226 (1997)
https://doi.org/10.1063/1.474601
Microwave spectroscopic and ab initio studies of the hydrogen-bonded trimethylamine–hydrogen sulfide complex
J. Chem. Phys. 107, 2227–2231 (1997)
https://doi.org/10.1063/1.474619
The microwave spectrum and nuclear quadrupole hyperfine structure of
J. Chem. Phys. 107, 2232–2241 (1997)
https://doi.org/10.1063/1.474620
Relative predissociation rates of OH ( ) from combined cavity ring down—Laser-induced fluorescence measurements
J. Chem. Phys. 107, 2242–2248 (1997)
https://doi.org/10.1063/1.474621
The state: Spectroscopy of the 11–0 and 14–0 bands
Philip C. Cosby; Richard A. Copeland; David G. Williamson; Gilles Gaudin; Mark J. Dyer; David L. Huestis; Tom G. Slanger
J. Chem. Phys. 107, 2249–2256 (1997)
https://doi.org/10.1063/1.474602
The state: Collisional removal of and interactions
J. Chem. Phys. 107, 2257–2266 (1997)
https://doi.org/10.1063/1.474603
Femtosecond two-dimensional spectroscopy from anharmonic vibrational modes of molecules in the condensed phase
J. Chem. Phys. 107, 2267–2283 (1997)
https://doi.org/10.1063/1.474604
Mass selected anion-zero kinetic energy photoelectron spectroscopy (anion-ZEKE): Ground and low excited states of FeO
J. Chem. Phys. 107, 2284–2291 (1997)
https://doi.org/10.1063/1.474622
Relaxation dynamics of H-bonded liquids confined in porous silica gels by Rayleigh wing spectroscopy
J. Chem. Phys. 107, 2292–2299 (1997)
https://doi.org/10.1063/1.474605
Near IR photoluminescence in mixed films of conjugated polymers and fullerenes
K. Hasharoni; M. Keshavarz-K.; A. Sastre; R. González; C. Bellavia-Lund; Y. Greenwald; T. Swager; F. Wudl; A. J. Heeger
J. Chem. Phys. 107, 2308–2312 (1997)
https://doi.org/10.1063/1.474607
Vibrational deactivation of by inelastic collisions with and An experimental and a theoretical study
J. Chem. Phys. 107, 2329–2339 (1997)
https://doi.org/10.1063/1.475125
Reaction dynamics of and HD: Direct evidence for the elusive abstraction pathway and the estimation of its branching
J. Chem. Phys. 107, 2351–2356 (1997)
https://doi.org/10.1063/1.474579
Photoelectron and photofragment velocity map imaging of state-selected molecular oxygen dissociation/ionization dynamics
J. Chem. Phys. 107, 2357–2362 (1997)
https://doi.org/10.1063/1.474624
Orientational order and rotational dynamics of the amide ions in potassium amide. I. Neutron diffraction
J. Chem. Phys. 107, 2363–2373 (1997)
https://doi.org/10.1063/1.475052
Spin-polarized H/D atoms and radiation chemistry in amorphous silica
J. Chem. Phys. 107, 2374–2385 (1997)
https://doi.org/10.1063/1.474580
Deexcitation of and in collisions with Ar, Kr, and Xe
Deba Bahadur Khadka; Yuji Fukuchi; Masashi Kitajima; Koji Hidaka; Noriyuki Kouchi; Yoshihiko Hatano; Masatoshi Ukai
J. Chem. Phys. 107, 2386–2394 (1997)
https://doi.org/10.1063/1.474581
Intramolecular proton transfer direct dynamics in the glycolate anion: Isotope effects
J. Chem. Phys. 107, 2407–2414 (1997)
https://doi.org/10.1063/1.474583
Angle-resolved photoelectron and photoion study on the shape resonance in the B ionization region of BF3
J. Chem. Phys. 107, 2415–2418 (1997)
https://doi.org/10.1063/1.474584
Symmetries and dissociation dynamics of F core excited states of BF3
J. Chem. Phys. 107, 2419–2423 (1997)
https://doi.org/10.1063/1.474585
Quantum reaction in a condensed phase: Turnover behavior from new adiabatic factorizations and corrections
J. Chem. Phys. 107, 2424–2429 (1997)
https://doi.org/10.1063/1.475141
Yield determination of OH() radicals produced by the electron-ion recombination of ions
J. Chem. Phys. 107, 2430–2439 (1997)
https://doi.org/10.1063/1.474586
Yield determination of OH radicals produced by the electron-ion recombination of protonated molecules
J. Chem. Phys. 107, 2440–2443 (1997)
https://doi.org/10.1063/1.474587
Ab initio characterization of the structure and energetics of the ArHF complex
J. Chem. Phys. 107, 2451–2462 (1997)
https://doi.org/10.1063/1.475148
Ab initio calculations on the electronic states of GaAr and
J. Chem. Phys. 107, 2481–2487 (1997)
https://doi.org/10.1063/1.474589
Density functional calculations of molecular -tensors in the zero-order regular approximation for relativistic effects
J. Chem. Phys. 107, 2488–2498 (1997)
https://doi.org/10.1063/1.474590
Collisional population of ultra-high, ultra-long-living Rydberg states under zero-electron-kinetic-energy conditions
J. Chem. Phys. 107, 2499–2515 (1997)
https://doi.org/10.1063/1.474616
Kohn-Sham orbital formulation of the chemical electronic responses, including the hardness
J. Chem. Phys. 107, 2516–2524 (1997)
https://doi.org/10.1063/1.474591
Predicting electron affinities with density functional theory: Some positive results for negative ions
J. Chem. Phys. 107, 2529–2541 (1997)
https://doi.org/10.1063/1.474593
Electronic structure and optical properties of electroluminescent spiro-type molecules
N. Johansson; D. A. dos Santos; S. Guo; J. Cornil; M. Fahlman; J. Salbeck; H. Schenk; H. Arwin; J. L. Brédas; W. R. Salanek
J. Chem. Phys. 107, 2542–2549 (1997)
https://doi.org/10.1063/1.474615
Gas-phase thermochemical stabilities of cluster ions with
J. Chem. Phys. 107, 2550–2556 (1997)
https://doi.org/10.1063/1.474594
Computer simulation studies of anisotropic systems. XXVI. Liquid crystal dimers: A generic model
J. Chem. Phys. 107, 2557–2572 (1997)
https://doi.org/10.1063/1.474595
Molecular simulation and continuum mechanics study of simple fluids in non-isothermal planar couette flows
J. Chem. Phys. 107, 2589–2596 (1997)
https://doi.org/10.1063/1.474570
Pressure dependence of the miscibility of poly(vinyl methyl ether) and polystyrene: Theoretical representation
J. Chem. Phys. 107, 2597–2602 (1997)
https://doi.org/10.1063/1.474571
Is laser heating advantageous for thermal desorption of large polar molecules?
J. Chem. Phys. 107, 2603–2610 (1997)
https://doi.org/10.1063/1.474617
reactive scattering from a Si(111) surface adsorbed with water
J. Chem. Phys. 107, 2611–2618 (1997)
https://doi.org/10.1063/1.474572
Biased reptation of polyampholytes: Trapping and enhancement effects
J. Chem. Phys. 107, 2636–2642 (1997)
https://doi.org/10.1063/1.474574
diagrams of the system of self-assembled on the Au(111) crystal surface
J. Chem. Phys. 107, 2643–2652 (1997)
https://doi.org/10.1063/1.474575
Molecular dynamics simulation of polymer crystallization through chain folding
J. Chem. Phys. 107, 2653–2663 (1997)
https://doi.org/10.1063/1.474576
Metal-insulator segregation in lithium rich clusters
J. Chem. Phys. 107, 2664–2672 (1997)
https://doi.org/10.1063/1.474628
On the Longuet-Higgins phase and its relation to the electronic adiabatic–diabatic transformation angle
J. Chem. Phys. 107, 2694–2695 (1997)
https://doi.org/10.1063/1.474623
Erratum: “Computer simulations of dense hard-sphere systems” [J. Chem. Phys. 105, 9258 (1996)]
J. Chem. Phys. 107, 2698 (1997)
https://doi.org/10.1063/1.475328
Erratum: “Resonant x-ray scattering beyond the Born–Oppenheimer approximation: Symmetry breaking in the oxygen resonant x-ray emission spectrum of carbon dioxide” [J. Chem. Phys. 106, 3439 (1997)]
Amary Cesar; Faris Gel’mukhanov; Yi Luo; Hans Ågren; Per Skytt; Peter Glans; Jinghua Guo; Kerstin Gunnelin; Joseph Nordgren
J. Chem. Phys. 107, 2699 (1997)
https://doi.org/10.1063/1.475329
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.