Buscar recursos académicos

A new mixing of Hartree–Fock and local density-functional theories

A Formal Basis for the Heuristic Determination of Minimum Cost Paths

A framework for variation discovery and genotyping using next-generation DNA sequencing data

Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

Click Chemistry: Diverse Chemical Function from a Few Good Reactions

Gene expression profiling predicts clinical outcome of breast cancer

The Costs and Benefits of Ownership: A Theory of Vertical and Lateral Integration

[34] Chlorophylls and carotenoids: Pigments of photosynthetic biomembranes

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for main group elements Na to Bi

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Hybrid functionals based on a screened Coulomb potential

Note on an Approximation Treatment for Many-Electron Systems

Self-Consistent Equations Including Exchange and Correlation Effects

A PHOTOMETRIC ADAPTATION OF THE SOMOGYI METHOD FOR THE DETERMINATION OF GLUCOSE

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

Handbook of Physiology.

Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals