Intramolecular Nonbonded Interactions Between Oxygen and Group VIA Elements: An Ab Initio Molecular Orbital and Density Functional Theory Investigation of the Structures of HX—CH2—COOH (X=S, Se, and Te) George D. MarkhamCindy L. BockCharles W. Bock OriginalPaper Pages: 263 - 276
Conformational Study of Naringenin in the Isolated and Solvated States by Semiempirical and Ab Initio Methods Katia S. P. PerryTanus J. NagemWagner B. De Almeida OriginalPaper Pages: 277 - 284
Cluster Quantum Chemical Study of Triaminotoluene Interaction with a Model Clay Surface N. U. ZhanpeisovJ. W. AdamsJ. Leszczynski OriginalPaper Pages: 285 - 294
A Thermodynamic, 13C NMR, and 17O NMR Study of Isomeric 4,7-Dihydro-1,3-dioxepins and 4,5-Dihydro-1,3-dioxepins Esko TaskinenPetri Ihalainen OriginalPaper Pages: 295 - 302
Molecular Structure of an Isocytosine Analog: Combined X-ray Structural and Computational Study of 2-Diethylamino-6-methyl-5-n-propyl-4(3H)-pyrimidinone Liliana CrăciunRadu CustelceanSorin Mager OriginalPaper Pages: 303 - 310
X-ray Structures of Three Penem Antibiotics: Molecular Mechanical and Dynamic Aspects Paolo DapportoPaola PaoliEnzo Perrotta OriginalPaper Pages: 311 - 319
Molecular Structure of BiBr3: An Electron Diffraction Study György SchultzMária KolonitsMagdolna Hargittai OriginalPaper Pages: 321 - 325
Paradigms and Paradoxes Are Acyl Azides Resonance Stabilized? Joel F. Liebman OriginalPaper Pages: 327 - 329