Journal of Molecular Structure: THEOCHEM

Editorial Board
pp. CO2-CO2(1)

Editorial Board
pp. iii-iii(1)

A theoretical study of structure and stability of various Ge₂H_m^- (m=0-5) ions
pp. 1-7(7)
Authors: Antoniotti P.; Operti L.; Rabezzana R.; Angelo Vaglio G.

Bond order weighted Wiener numbers
pp. 9-14(6)
Authors: Jalbout A.F.; Li X.

The position-dependent effective mass Schrodinger equation: a quasi-exact solution
pp. 15-18(4)
Authors: Moayedi S.K.; Jalbout A.F.; Solimannejad M.

Anti-HIV-1 inhibitors of various molecules using principles of connectivity
pp. 19-23(5)
Authors: Jalbout A.F.; Li X.

Reaction of O(³P) with ClONO₂: a MP2 computation
pp. 25-33(9)
Authors: Shen W.; Li M.; Tang D.

Contemplation on resemblance of molecules
pp. 35-37(3)
Author: Turker L.

Quantum chemical studies on the inhibition efficiencies of some piperazine derivatives for the corrosion of steel in acidic medium
pp. 39-46(8)
Authors: Bereket G.; Ogretir C.; Ozsahin C.

On the origin of the enhanced reactivity of -halocarbonyl compounds in S_N2 processes
pp. 47-58(12)
Author: Gineityte V.

DFT study of hyperconjugation effects on the charge distribution in pyrogallol
pp. 59-71(13)
Authors: Vedernikova I.; Salahub D.; Proynov E.

Vibrational mode analysis for the multi-channel reaction of O₂+CH₃S
pp. 73-79(7)
Authors: Zhang H.-t.; Zhou Z.-y.; Jalbout A.F.

Definition and application of a novel valence molecular connectivity index
pp. 81-85(5)
Authors: Li X.H.; Jalbout A.F.; Solimannejad M.

Resemblance of molecules in contracted space
pp. 87-89(3)
Author: Turker L.

Density functional studies of torsion potentials of neutral and protonated bipyridines
pp. 91-100(10)
Authors: Lehtonen O.; Ikkala O.; Pietila L.-O.

Theoretical study of the lowest electronic states of the LiNa⁺ molecule
pp. 101-108(8)
Author: Berriche H.

QSPR models of boiling point, octanol-water partition coefficient and retention time index of polycyclic aromatic hydrocarbons
pp. 109-126(18)
Authors: Alves de Lima Ribeiro F.; Ferreira M.M.C.

Molecular structure and vibrational spectra of 4-tert-butylpyridine by density functional theory and ab initio Hartree-Fock calculations
pp. 127-134(8)
Authors: Kurt M.; Yurdakul M.; Yurdakul S.

A multi-configurational study of the one-dimensional dissociation of azidopentazole (N₈) and derived N₇CH isomers
pp. 135-143(9)
Authors: Goldberg M.; Hoz S.; Basch H.

On the use of NICS criterion to evaluate aromaticity in heteroaromatics involving III and IV row main group elements
pp. 145-148(4)
Authors: Saieswari A.; Deva Priyakumar U.; Narahari Sastry G.

Ab initio RHF and density functional B3LYP and B3PW91 study of (NPF₂)_n; n=2,3,4 and (NPX₂)₃; X=H, Cl, Br cyclic phosphazenes
pp. 149-157(9)
Authors: Sabzyan H.; Kalantar Z.

Ground-state of silicon clusters by neural network assisted genetic algorithm
pp. 159-165(7)
Authors: Marim L.R.; Lemes M.R.; Dal Pino A.

S-H proton dissociation enthalpies of thiophenolic cation radicals: a DFT study
pp. 167-174(8)
Authors: Zhang H.-Y.; Ji H.-F.

Importance of charge-transfer effects in [4+2] cycloaddition reaction
pp. 175-185(11)
Author: Korchowiec J.

Inhomogeneous broadenings of the infrared profile of dipolar adsorbates on real surfaces
pp. 187-199(13)
Authors: Humbert J.; Ramseyer C.; Girardet C.

Author Index
pp. 201-201(1)

Subject Index
pp. 203-206(4)