Chemical Physics, 1999, V 246, V 246, N 1-3, Jul 15.
ISSN 0301-0104
A combined experimental and theoretical study of the unimolecular
elimination kinetics of 2-alkoxypropionic acids in the gas phase.
Rotinov A; Chuchani G; Andres J; Domingo LR; Safont VS.
pp 1-12
A comparative study of MP2, B3LYP, RHF and SCC-DFTB force fields in
predicting the vibrational spectra of N-acetyl-L-alanine-N '-methyl amide:
VA and VCD spectra.
Bohr HG; Jalkanen KJ; Elstner M; Frimand K; Suhai S.
pp 13-36
Unusual distributed charge models of water's electric potential.
Tanizaki S; Mavri J; Partridge H; Jordan PC.
pp 37-47
The excitation energies of 1,1 '-bicyclohexylidene and 1,1 ': 4 ', 1
''-tercyclohexylidene. A comparison of multi-reference configuration
interaction and perturbation theory approaches.
Havenith RWA; van Dam HJJ; van Lenthe JH; Jenneskens LW.
pp 49-56
Potential energy curves of 58 states of Li-2(+).
Magnier S; Rousseau S; Allouche AR; Hadinger G; Aubert-Frecon M.
pp 57-64
Effects of chemical substitution upon excited state proton transfer.
Fluoroderivatives of salicylaldimine.
Fores M; Scheiner S.
pp 65-74
Thomas-Reiche-Kuhn populations in alkanes.
Lazzeretti P; Caputo MC; Ferraro MB.
pp 75-85
Regge pole representation of the limiting behavior of optically forbidden
transitions in atoms and molecules.
Ozimba PA; Msezane AZ.
pp 87-102
Effect of deuteration on the fluorescence excitation spectrum of
tropolone: a theoretical study.
Paz JJ; Moreno M; Lluch JM.
pp 103-113
Reaction dynamics of photochromic dithienylethene derivatives.
Ern J; Bens AT; Martin HD; Mukamel S; Schmid D; Tretiak S; Tsiper E;
Kryschi C.
pp 115-125
Theoretical description of the NEXAFS Cl 1s and 2p spectra of ClF and
ClF3.
Fronzoni G; Stener M; Decleva P.
pp 127-145
Calculation of temporary anion states using density functional theory.
Szarka AZ; Curtiss LA; Miller JR.
pp 147-155
Kinetics of the recombination reactions of CClF with CF2 and with CClF.
Caballero NB; Castellano E; Cobos CJ; Croce AE; Pino GA.
pp 157-166
Vibrational study of intramolecular hydrogen bonding in o-hydroxybenzoyl
compounds.
Palomar J; De Paz JLG; Catalan J.
pp 167-208
Using triazine as coupling unit for intramolecular ferromagnetic coupling
of multiradicals.
Zhang JP; Wang RS; Wang LX; Baumgarten M.
pp 209-215
Many-body interactions calculated with the direct reaction field model.
Grozema FC; Zijlstra RWJ; van Duijnen PT.
pp 217-227
The electronic spectrum of 1,4,5,8-tetraazanaphthalene.
Hurst JK; Wormell P; Krausz E; Lacey AR.
pp 229-246
Magnetic-field-induced isotropic-nematic phase transition in porous media.
Popa-Nita V.
pp 247-253
Structure and properties of non-classical polymers. Part XII: A new family
of high-spin polycyclic 1-D systems.
Dietz F; Tyutyulkov N.
pp 255-265
Linestrengths of phosphorus monohydride - II. Isotope effect in the PX (X
= H, D)b (1)Sigma(+) (upsilon '=0)-> X (3)Sigma(-) (upsilon ''=0)
emission.
Di Stefano G; Lenzi M; Ricci A.
pp 267-274
Superelastic collisions of electrons with the c(3)Pi(u) metastable state
in hydrogen dc positive column.
Amorim J; Lino JLS; Loureiro J; Lima MAP; da Paixao FJ.
pp 275-282
Localization length and intraband scattering of excitons in linear
aggregates.
Lemaistre JP.
pp 283-293
Short- and intermediate-range structure in Al(III)-containing gels
prepared from Al-nitrate in organic medium.
Mezei R; Sinko K; Rohonczy J; Paris O; Fratzl P.
pp 295-305
Mechanism of efficient V-V in collisions of N-2(+) (nu > 0) with N-2.
Sohlberg K.
pp 307-313
Nonadiabatic processes in solution: molecular dynamics and surface
hopping.
Cattaneo P; Persico M; Tani A.
pp 315-322
A molecular model of p-terphenyl and its disorder-order transition.
Bordat P; Brown R.
pp 323-334
Dynamics of linear polymers in dilute solutions.
Szorek R.
pp 335-345
Dimensionality effects on the electronic and structural properties of PtS2
chains.
Springborg M.
pp 347-361
Photoinduced intramolecular electron transfer in covalently linked
porphyrin-triptycene-(bis)quinone diads and triads.
Korth O; Wiehe A; Kurreck H; Roder B.
pp 363-372
Rigidity of the backbone for poly(bis(4-butoxycarbonylphenyl))carbodiimide
and poly(bis(4-butylphenyl))carbodiimide studied by solid state C-13 T-1p
measurements.
Lim AR; Kim JH; Novak BM.
pp 373-380
Total fragmentation of SbCl3 by multiphoton dissociation in the UV.
Haunert G; Tiemann E.
pp 381-390
Fermi-resonances, potential energy function, and cluster-like spectra of
the ground electronic state of CS2.
Liou HT; Huang KL.
pp 391-431
Spectroscopic investigation of vibration-rotation bands in acetaldehyde:
Focus on the n nu(3) (n=1-5) aldehyde CH stretch bands. [Abstract
available]
Herman M; Herregodts F; Georges R; Hepp M; Bachir IH;
Lecoutre M; Kleiner I.
pp 433-443
Fluorescence spectroscopic behaviour of neat and blended conjugated
polymer thin films.
Holzer W; Pichlmaier M; Penzkofer A; Bradley DDC; Blau WJ.
pp 445-462
A combined experimental and theoretical study on the photochromism of
aromatic anils.
Mitra S; Tamai N.
pp 463-475
Ultrafast induced excited state absorption in organically doped xerogels.
Brunel M; Campagne B; Canva M; Brun A; Chaput F; Boilot JP.
pp 477-481
Photoconductivity of polydiacetylene chains in polymer and monomer single
crystals.
Moller S; Weiser G.
pp 483-494