Density function theory

Chemistry in water : first principles computer simulations / Berend Ensingschema:ProductModel Conceptual perspectives in quantum chemistry / ed. by Jean-Louis Calais and Eugene Kryachkoschema:ProductModel Current-density functionals in extended systems / Arjan Bergerschema:ProductModel Current-density functionals in extended systems / Arjan Bergerschema:ProductModel Delocalized and correlated wave functions for excited states in extended systems / Alexandrina Stoyanovaschema:ProductModel Delocalized and correlated wave functions for excited states in extended systems / Alexandrina Stoyanovaschema:ProductModel Density functional theory applied to copper proteins / Marcel Swartschema:ProductModel Density functional theory applied to copper proteins / Marcel Swartschema:ProductModel Electron-nuclear coupling in time-dependent multicomponent density functional theory / Olena O. Butriyschema:ProductModel Electronic structure of some organic, inorganic and hybrid materials / Igor Shokaryevschema:ProductModel Electronic structure of some organic, inorganic and hybrid materials / Igor Shokaryevschema:ProductModel First principles theoretical modeling of the isomer shift of Mössbauer spectra / Reshmi Kurianschema:ProductModel First principles theoretical modeling of the isomer shift of Mössbauer spectra / Reshmi Kurianschema:ProductModel Modern density functional theory : a tool for chemistry / ed. by J.M. Seminario, P. Politzerschema:ProductModel Resolving local structures and dynamics of proteins with 2D IR spectroscopy / Santanu Royschema:ProductModel Resolving local structures and dynamics of proteins with 2D IR spectroscopy / Santanu Royschema:ProductModel Solvent effects and chemical reactivity / ed. by Orlando Tapia and Juan Bertránschema:ProductModel Theoretical modeling of the dynamics of photo-excited states in light-driven molecular rotary motors / Andranik Koryunovich Kazaryanschema:ProductModel Theoretical modeling of the dynamics of photo-excited states in light-driven molecular rotary motors / Andranik Koryunovich Kazaryanschema:ProductModel Time-dependent current-density-functional theory for metals / Pina Romanielloschema:ProductModel ... show all 23