Chemical Physics

An ab initio time-dependent Hartree-Fock study of solvent effects on the polarizability and second hyperpolarizability of polyacetylene chains within the polarizable continuum model
pp. 153-163(11)
Authors: Champagne B.; Mennucci B.; Cossi M.; Cammi R.; Tomasi J.

The first-order electric field-induced spectra: theory and experimental study of NO₂
pp. 165-172(8)
Authors: Chen J.; Wang P.; Li F.; Chen Y.; Wang Z.

On the dielectric continuum solvent model for theoretical estimates of the conformational equilibrium of molecules with an intramolecular hydrogen bond
pp. 173-178(6)
Authors: Yasuda T.; Ikawa S.-i.

The electronic states of pyrrole studied by optical (VUV) absorption, near-threshold electron energy-loss (EEL) spectroscopy and ab initio multi-reference configuration interaction calculations
pp. 179-199(21)
Authors: Palmer M.H.; Walker I.C.; Guest M.F.

Inner-shell excitation of PF₃, PCl₃, PCl₂CF₃, OPF₃ and SPF₃ - Part I. Spectroscopy
pp. 201-220(20)
Authors: Neville J.J.; Jurgensen A.; Cavell R.G.; Kosugi N.; Hitchcock A.P.

Mass spectrometric and theoretical study of the mixed complex NaCeCl₄(g)
pp. 221-229(9)
Authors: Kapala J.; Roszak S.; Lisek I.; Miller M.

Vibrational analysis of 2-nitrophenol. A joint FT-IR, FT-Raman and scaled quantum mechanical study
pp. 231-243(13)
Authors: Kovacs A.; Izvekov V.; Keresztury G.; Pongor G.

Yamanouchi-chain S_n-invariant hierarchies for SR carrier space of {T^k(v)}(SU2xS_n) dual tensors in NMR: some maximal S_n-inner products, via S_n-restricted-space Schur Fn. product mappings
pp. 245-256(12)
Author: Temme F.P.

Wavelength dependence of the nonlinear absorption properties of laser dyes in solid and liquid solutions
pp. 257-272(16)
Authors: Barroso J.; Costela A.; Garca-Moreno I.; Sastre R.

On the dependence of a critical supersaturation on pressure of a two-component background gas in a diffusion cloud chamber
pp. 273-284(12)
Author: Itkin A.L.

Solvent effects on outersphere electron transfer reactions in mixed dipolar liquids
pp. 285-300(16)
Author: Chandra A.

Rotational tunneling of methyl groups in the hydroquinone/acetonitrile clathrate: A combined deuteron NMR, INS, and computational study
pp. 301-314(14)
Authors: Detken A.; Schiebel P.; Johnson M.R.; Zimmermann H.; Haeberlen U.

Manifestation of interaction of the transition dipole moments in IR spectra of low-temperature liquids and solutions in liquefied noble gases
pp. 315-327(13)
Authors: Kolomiitsova T.D.; Burtsev A.P.; Fedoseev V.G.; Shchepkin D.N.

Multi-photon dissociation of CHBr₃ at 248 and 193 nm: observation of the electronically excited CH(A&unknown;²) product
pp. 329-341(13)
Authors: Lindner J.; Ermisch K.; Wilhelm R.

`Fractional heating' differential scanning calorimetry: a tool to study energetics and kinetics of solid-state reactions in photoactive systems with distributed parameters
pp. 343-351(9)
Authors: Sworakowski J.; Nespurek S.