27 resultados.

Quantum Mechanical Electronic Structure Calculations With Chemical Accuracy

Density Functional Theory Of Molecules, Clusters, And Solids

Ultrafast Dynamics Of Chemical Systems

Chemical Waves And Patterns

Graph Theoretical Approaches To Chemical Reactivity

New Developments In Molecular Chirality

Reaction Path In Chemistry: Current Approaches And Perspectives

Ultrafast Hydrogen Bonding Dynamics And Proton Transfer Processes In The Condensed Phase

Quantum Chemistry Approaches To Chemisorption And Heterogeneous Catalysis

Molecular Theory Of Solvation

Role Of Rydberg States In Spectroscopy And Photochemistry

Computational Approaches To Biochemical Reactivity

Quantum-Mechanical Prediction Of Thermochemical Data

Electron, Spin And Momentum Densities And Chemical Reactivity

Entropy And Entropy Generation

Solvent Effects And Chemical Reactivity

Ultrafast Hydrogen Bonding Dynamics And Proton Transfer Processes In The Condensed Phase

Organometallic Ion Chemistry

Molecular Design Of Tautomeric Compounds

Energy Density Functional Theory Of Many-Electron Systems