Chemical Physics Letters
V 262, Issue 3-4, 15 November 1996
* The F + HD reaction: cross sections and rate constants on an ab initio
potential energy surface
Aoiz, F.J., Banares, L., Herrero, V.J., Rabanos, V.S., Stark, K.,
Tanarro, I. and Werner, H.-J.
page 175-182
* CCSD(T) calculation of NMR chemical shifts: consistency of calculated
and measured 13C chemical shifts in the
1-cyclopropylcyclopropylidenemethyl cation
Stanton, J.F., Gauss, J. and Siehl, H.
page 183-186
* The structure of the methanol radical cation: an artificially short
C-O bond with MP2 theory
Gauld, J.W., Glukhovtsev, M.N. and Radom, L.
page 187-193
* Double proton transfers in complexes of formic acid with CH4, NH3,
H2O, HF and H2
Minyaev, R.M.
page 194-200
* Electronic, vibrational and environmental effects on the hyperfine
coupling constants of nitroside radicals. H2NO as a case study
Barone, V.
page 201-206
* Electronic properties of the electride-type molecule Li(9-crown-3)2.
Comparison of Hartree-Fock and local density approximations:
implications for crystalline crown ether electrides
Rencsok, R., Jackson, K.A., Kaplan, T.A., Harrison, J.F. and Pederson,
M.R.
page 207-212
* An ab initio embedded-cluster approach to electronic structure
calculations on perfect solids: a Hartree-Fock study of lithium
hydride
Shukla, A., Dolg, M., Stoll, H. and Fulde, P.
page 213-218
* An O(N) tight-binding study of carbon clusters up to C8640: the
geometrical shape of the giant icosahedral fullerenes
Chun, H.X. and Scuseria, G.E.
page 219-226
* Structures and electronic states of endohedral dimetallofullerenes:
M2__C80 (M = Sc, Y, La, Ce, Pr, Eu, Gd, Yb and Lu)
Kobayashi, K. and Nagase, S.
page 227-232
* [60]Fullerene anions in aqueous solutions (EPR study)
Stasko, A., Brezova, V., Rapta, P., Asmus, K. and Guldi, D.M.
page 233-240
* Electron impact excitation of C60 adducts; fluorescence from C60OH and
C60H species
Trajmar, S. and Kanik, I.
page 241-246
* Full-potential linear muffin-tin orbital calculation of atomic forces
and optimization of atomic structure of fullerene epoxide derivatives
C60O and C60O2
Batirev, I.G., K., H.L., W., R.L., H., M.L. and Leiro, J.A.
page 247-251
* Onion-like graphitic particles produced from diamond
Lu-Chang, Q. and Iijima, S.
page 252-258
* Enhanced photoluminescence of C60 incorporated into interlayers of
hydrotalcite
Weiping, D., Gang, G., Wei, Z., Wen-Cheng, Z. and Youwei, D.
page 259-262
* A theoretical study of the curves for Ta + CO interaction
Majumdar, D. and Balasubramanian, K.
page 263-268
* Fragmentation dynamics of silicon cluster anions in collision with a
silicon surface: contrast to aluminum cluster anions
Terasaki, A., Yamaguchi, H., Yasumatsu, H. and Kondow, T.
page 269-273
* Photoresponse of porphyrin thin-film electrode in the near-infrared
Harima, Y., Miyatake, M., Price, P. and Yamashita, K.
page 274-278
* Efficient chemical vapour deposition of hydrocarbon polymeric films by
UV laser induced photolysis of 3-butyn-2-one
Pola, J., Ouchi, A., Saito, K., Ishikawa, K. and Koga, Y.
page 279-283
* A quenching method in quantum-classical studies of dynamics with a
bifurcating wavefunction
Lichang, W. and Clary, D.C.
page 284-291
* Observation of charge-resonance band of naphthalene dimer cation
confined in cavities of faujasite zeolites. Near-IR diffuse
reflectance laser photolysis study
Hashimoto, S.
page 292-297
* Infrared observations of the B3 and Al3 molecules in inert-gas
matrices at 4 K
Li, S., Van Zee, R.J. and Weltner, W. Jr.
page 298-302
* The adiabatic binding energy of NbAr+
Buthelezi, T., Bellert, D., Hayes, T. and Brucat, P.J.
page 303-307
* Rotational spectrum and properties of a gas-phase complex of molecular
fluorine and hydrogen cyanide
Cooke, S.A., Cotti, G., Evans, C.M., Holloway, J.H. and Legon, A.C.
page 308-314
* Energy transfer between UO2+2 and Eu3+ in sol-gel glasses: a
spectroscopic investigation
Sheng, D., Wu, X., Metcalf, D.H. and Toth, L.M.
page 315-320
* The 13C chemical shielding, 14N quadrupole and the dipolar tensors of
the nitrile group in the hydrogen-bonded acetonitrile-H-ZSM-5
adsorption complex
Sepa, J., Gorte, R.J., White, D., Kassab, E. and Allavena, M.
page 321-328
* Degenerate four-wave mixing spectroscopy as a probe of
photodissociation dynamics: nascent SH population distributions from
the 266 nm photolysis of hydrogen sulfide
Wasserman, T.A.W., Arias, A.A., Muller, T. and Vaccaro, P.H.
page 329-336
* Deuterated methylene iodide at high pressures: a Raman study
Lee, S.A. and Anderson, A.
page 337-342
* 1La origin locations of methyl indoles in argon matrices
Fender, B. and Callis, P.R.
page 343-348
* New emission spectra of KrXe+ produced from Kr afterglow reactions of
Xe
Tsuji, M., Tanaka, M. and Nishimura, Y.
page 349-354
* Double ionization of fluorobenzene to singlet and triplet states of
its dication
Silcocks, S.E., Jeffreys, N., Harris, F.M., Andrews, S.R. and Parry,
D.E.
page 355-361
* High-power femtosecond chirped pulse excitation of molecules in
solution
Cerullo, G., Bardeen, C.J., Q., W. and Shank, C.V.
page 362-368
* Subpicosecond population decay time of the first excited singlet state
of thioxanthione in fluid solution
Tittelbach-Helmrich, D. and Steer, R.P.
page 369-373
* Proton MAS NMR of a protein in a frozen aqueous solution
Volke, F., Pampel, A., Haensler, M. and Ullmann, G.
page 374-378
* Two Shpol'skii sites of all-trans-1,8-diphenyloctatetraene in
n-tetradecane
Plakhotnik, T., Walser, D., Renn, A. and Wild, U.P.
page 379-383
* Fractional occupation numbers and density functional energy gradients
within the linear combination of Gaussian-type orbitals approach
Warren, R.W. and Dunlap, B.I.
page 384-392
* Distributed approximating functional approach to fitting
multi-dimensional surfaces
Hoffman, D.K., Frishman, A. and Kouri, D.J.
page 393-399
* Accurate nonrelativistic energies for some doubly excited Pe states of
He
Hilger, R., Merckens, H. and Kleindienst, H.
page 400-404
* Direct imaging of excited electronic states using diffraction
techniques: theoretical considerations
Ben-Nun, M., Martinez, T.J., Weber, P.M. and Wilson, K.R.
page 405-414
* Hyper-parallel algorithms for centroid molecular dynamics: application
to liquid para-hydrogen
Calhoun, A., Pavese, M. and Voth, G.A.
page 415-420
* The SU(3) algebraic vibrational dynamics of inter-mode couplings: a
case study of H2O, CH2Br2 and CD2Br2
Guozhen, W. and Xiande, D.
page 421-430
* Helium dimer potential from symmetry-adapted perturbation theory
Williams, H.L., Korona, T., Bukowski, R., Jeziorski, B. and Szalewicz,
K.
page 431-436
* Quantum mechanical calculation of line shape parameters for the
depolarized Raman Q branch of D2 in He
Brezina, R., S., H.L. and W.-K., L.
page 437-441
* Antenna exciton trapping kinetics as a probe of primary electron
transfer heterogeneity in the photosynthetic reaction center
Pearlstein, R.M.
page 442-448
* The solvent effect on the electronegativity and hardness of bonded
atoms
Lipinski, J. and Komorowski, L.
page 449-454
* Visible spectra of fractal particles in colloidal solutions
Vertegel, A.A., Kalinin, S.V., Oleynikov, N.N. and Tretyakov, Yu.D.
page 455-459
* Positron-helium scattering at medium energies
Adhikari, S.K. and Ghosh, A.S.
page 460-464
* A new concept for selective excitation in NMR
Abergel, D., Louis-Joseph, A. and Lallemand, J.
page 465-469
* Time-dependent semiclassical calculation of resonance lifetimes
Grossmann, F.
page 470-476
* Wave packet correlation function approach to H2([upsi.gif])+H
[rarr.gif]H+H2([upsi.gif]_): semiclassical implementation
Garashchuk, S. and Tannor, D.
page 477-485
* Semiclassical calculation of Franck-Condon intensities for reactive
systems
Spath, B.W. and Miller, W.H.
page 486-494