A fully {\it ab initio} potential curve of near-spectroscopic quality for the OH^- anion: importance of connected quadruple excitations and scalar relativistic effects
A general algebraic model for molecular vibrational spectroscopy
A general algebraic model for vibrational molecular spectroscopy
A general expression for bimolecular association rates with orientational constraints
A generalized exchange-correlation functional: the Neural-Networks approach
A generalized local approximation to the exchange potential
A genetic algorithm to build diatomic potentials
A Global Algebraic Treatment for XY2 Molecules : Application to D2S
A gradient-directed Monte Carlo approach to molecular design
A Heuristic Molecular Model of Hydrophobic Interactions
A Hybrid Algebraic/Schrödinger Approach to the 2D Franck-Condon Problem
A Hybrid Decomposition Parallel Implementation of the Car-Parrinello Method
A joint theoretical and experimental study of phenylene-acetylene molecular wires
A Lean Methane Prelixed Laminar Flame Doped witg Components of Diesel Fuel. Part I: n)Butylbenzene
A Liouville equation for systems which exchange particles with reservoirs: transport through a nano-device
A local anharmonic treatment of vibrations of methane
A mathematical and computational review of Hartree-Fock SCF methods in Quantum Chemistry
A Method Based on a Nonlinear Generalized Heisenberg Algebra to Study the Molecular Vibrational Spectrum
A Method to Extract Potentials from the Temperature Dependence of Langmuir Constants for Clathrate-Hydrates
A missing high-spin molecule in the family of cyano-bridged heptanuclear heterometal complexes, [(LCuII)6FeIII(CN)6]3+, and its CoIII and CrIII analogues, accompanied in the crystal by a novel octameric water cluster