Theoretical Investigation of the C2H2B2 Potential Energy Surface
Predictive Abilities of Scaled Quantum Mechanical Molecular Force Fields
Extended NMR Study of Spin-Crossover Compounds [Fe(1-alkyl-1 H-tetrazole)6](BF4)2 and Their ZnII Analogs
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) Symbol (O)](μ2-PPh2)
GIAO Calculations of Chemical Shifts in Heterocyclic Compounds1
The Molecular Structure and NMR Properties of P-Phosphinoylmethyl Aminophosphonium Salts
Determination by the EPR Radical Equilibration Technique of the O―H Bond Dissociation Enthalpy in 3,5-Dimethylphenol
Interplay of Thermochemistry and Structural Chemistry, the Journal and the Discipline, Part 2
Paradigms and Paradoxes
Paradigms and Paradoxes
Annie's Box
Computational Chemistry
Femtochemistry and Femtobiology