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Predictive Abilities of Scaled Quantum Mechanical Molecular Force Fields: Application to 1,3-Butadiene Yurii N. PanchenkoJean Vander AuweraGeorge R. De Maré OriginalPaper Pages: 337 - 348
Extended NMR Study of Spin-Crossover Compounds [Fe(1-alkyl-1H-tetrazole)6](BF4)2 and Their ZnII Analogs T. MarekM. BokorK. Burger OriginalPaper Pages: 349 - 368
ETC and Thermal Ligand Substitution in PhCCo3(CO)9 with 2,3-Bis(diphenylphosphino)-N-phenylmaleimide(bppm). X-Ray Diffraction Structure of Co3(CO)6[μ2,η2, η1-C(Ph)\($$\)(O)](μ2-PPh2) William H. WatsonSatish G. BodigeMichael G. Richmond OriginalPaper Pages: 369 - 375
GIAO Calculations of Chemical Shifts in Heterocyclic Compounds Ibon AlkortaJosé Elguero OriginalPaper Pages: 377 - 389
The Molecular Structure and NMR Properties of P-Phosphinoylmethyl Aminophosphonium Salts Carmen López-LeonardoMateo AlajarínJosé Elguero OriginalPaper Pages: 391 - 397
Determination by the EPR Radical Equilibration Technique of the O–H Bond Dissociation Enthalpy in 3,5-Dimethylphenol Marco LucariniVeronica MugnainiGian Franco Pedulli OriginalPaper Pages: 399 - 401
Interplay of Thermochemistry and Structural Chemistry, the Journal and the Discipline, Part 2: Volume 12, 2001 Joel F. Liebman OriginalPaper Pages: 403 - 415
Paradigms and Paradoxes: Accidental Degeneracies, I: Suppose the 2s and 2p Orbitals Were Closer in Energy. How Would Organic Chemistry Be Different? H. Mark PerksJoel F. Liebman OriginalPaper Pages: 417 - 419
Paradigms and Paradoxes: Accidental Degeneracies, II: Suppose the 3p and 3d Orbitals Were Closer in Energy. How Would Biochemistry Be Different? H. Mark PerksJoel F. Liebman OriginalPaper Pages: 421 - 422