FT
Title | Published in | Access level | OA Policy | Year | Views | Downloads | |
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Mixed PbFBr1-xIx crystals: structural and spectroscopic investigations | Journal of physics. Condensed matter | 2007 | 663 | 336 | |||
The role of density functional theory in chemistry: Some historical landmarks and applications to zeolites | Journal of molecular structure. Theochem | 2006 | 680 | 900 | |||
Theoretical Study of Neutral and Cationic Complexes Involving Phenol | International journal of quantum chemistry | 2005 | 607 | 334 | |||
One-Electron Equations for Embedded Electron Density and Their Applications to Study Electronic Structure of Atoms and Molecules in Condensed Phase | Chimia | 2005 | 583 | 297 | |||
Pi-Stacking Behavior of Selected Nitrogen-Containing PAHs | The journal of physical chemistry. A | 2004 | 629 | 0 | |||
Approximation to the classical Coulomb energy for atoms | Physics letters. A | 2003 | 835 | 605 | |||
Gradient-free and gradient-dependent approximations in the total energy bifunctional for weakly overlapping electron densities | The Journal of chemical physics | 2003 | 590 | 0 | |||
Physisorption of Molecular Hydrogen on Polycyclic Aromatic Hydrocarbons: A Theoretical Study | Journal of Physical Chemistry. B | 2002 | 626 | 0 | |||
Link between the Kinetic- and Exchange-Energy Functionals in the Generalized Gradient Approximation | International journal of quantum chemistry | 2002 | 588 | 0 | |||
Introduction of the explicit long-range nonlocality as an alternative to the gradient expansion approximation for the kinetic-energy functional | Chemical physics letters | 2002 | 595 | 325 | |||
Theoretical Study of the Benzene Dimer by the Density-Functional-Theory Formalism Based on Electron-Density Partitioning | Helvetica chimica acta | 2001 | 514 | 0 |