A Monte Carlo simulation study of the aqueous hydration of d(CGCGCG) in Z form P. S. SubramanianD. L. Beveridge OriginalPaper Pages: 3 - 15
Molecular orbital studies on nucleoside antibiotics X. Conformation of nebularine and isoguanosine A. SaranL. N. Patnaik OriginalPaper Pages: 17 - 26
A new theoretical approach to the empirical resonance energies of the aromatic hydrocarbons Takeshi NakajimaMasahiro Kataoka OriginalPaper Pages: 27 - 31
Evaluation of angular integrals by harmonic projection J. AveryF. Antonsen OriginalPaper Pages: 33 - 42
Ab initio study of the stability of [n]paracyclophanes and their Dewar benzene-type isomers Malte von ArnimSigrid D. Peyerimhoff OriginalPaper Pages: 43 - 59
Theoretical studies of peptidic structures. Environmental effects Serafin FragaStephen E. Thornton OriginalPaper Pages: 61 - 67
Theoretical studies of [n]paracyclophanes and their valence isomers F. BockischJ. -C. RayezB. Duguay OriginalPaper Pages: 69 - 86
Theoretical study of the structure of the glutathione-hydrogen peroxide complex J. BergèsJ. CailletZ. Abedinzadeh OriginalPaper Pages: 87 - 99
Auxiliary functions for Slater molecular integrals J. Fernández RicoR. LópezJ. I. Fernández-Alonso OriginalPaper Pages: 101 - 107
Reactivity indices: Remarks on present state and prospects Giuseppe Del Re OriginalPaper Pages: 109 - 119
Association of metal cations with alkanes: Na(CH4)+ versus Cu(CH4)+ as molecular models Lotfi BouslamaHélène MestdaghMichèle Suard OriginalPaper Pages: 121 - 126
Some applications of local density functional theory to the calculation of reaction energetics Peter PolitzerJorge M. SeminarioJane S. Murray OriginalPaper Pages: 127 - 136
Evaluation of the bond energy terms for the various types of boron-nitrogen bonds G. LeroyM. SanaC. Wilante OriginalPaper Pages: 155 - 166
Molecular interactions in a homogeneous electric field: the (HF)2 complex G. AlagonaR. CammiJ. Tomasi OriginalPaper Pages: 167 - 187
Peptide models II. Intramolecular interactions and stable conformations of glycine, alanine, and valine peptide analogues Wladia VivianiJean-Louis RivailImre G. Csizmadia OriginalPaper Pages: 189 - 197
Nonrigid large van der Waals molecules Joshua JortnerNarda Ben-HorinDaphna Scharf OriginalPaper Pages: 199 - 207
Point charge representation of multicenter multipole moments in calculation of electrostatic properties W. A. SokalskiM. ShibataR. Rein OriginalPaper Pages: 209 - 216
Transition structures for carbon dioxide and formaldehyde hydroxylation reactions in the coordinate sphere of zinc O. TapiaO. JacobF. Colonna OriginalPaper Pages: 217 - 230
Determining proton positions in an enzyme-inhibitor complex is a first step for theoretical mechanistic studies of aspartic proteinases Amiram GoldblumMeir GlickAnwar Rayan OriginalPaper Pages: 231 - 247
