Browse by Title

52 items found

Showing titles from 0 to 25:

  1  2  3   
FormatDateTitleAuthor
FormatDateTitleAuthor
media icon DUGiMedia 2010 July 5 Anatomy of Bond Formation. Insights from the Analysis of Domain-Averaged Fermi Holes in Momentum Space Ponec, Robert
media icon DUGiMedia 2010 July 8 Anharmonicity as a possible explenation of the Eigen-Zundel dilema in the IR spectrum of H+(H2O)21 Torrent Sucarrat, Miquel
media icon DUGiMedia 2010 July 7 Applying quantum chemistry to solids and liquids Allan, Neil
media icon DUGiMedia 2010 July 8 Aromaticity and the electron localization function, ELF Fuentealba, Patricio
media icon DUGiMedia 2010 July 7 Atomistic modeling of multimillion atom nanostructures Zielinski, Michal
media icon DUGiMedia 2010 July 6 Benchmark full configuration interaction calculations for the ground state of three-electron harmonium atoms Matito i Gras, Eduard
media icon DUGiMedia 2010 July 6 Benchmark full configuration interaction calculations on harmonium atoms Cioslowski, Jerzy
media icon DUGiMedia 2010 July 7 Carbones, silylones, germylones, stannylones Frenking, Gernot
media icon DUGiMedia 2010 July 8 Closing Solà i Puig, Miquel
media icon DUGiMedia 2010 July 6 Computationally efficient and accurate dispersion correction for density functional theory Grimme, Stefan
media icon DUGiMedia 2010 July 6 Computational modeling of hole transfer in DNA-protein complexes Butchosa, Cristina
media icon DUGiMedia 2010 July 6 Conceptual density functional theory: the linear response function and third order derivatives Geerlings, Paul
media icon DUGiMedia 2010 July 6 Confining electrons with Hooke and Yukawa like potentials Ugalde, Jesus M.
media icon DUGiMedia 2010 July 6 Density extrapolation in conformational domains using a reference density matrix and explicit overlap matrix dependence Mezey, Paul
media icon DUGiMedia 2010 July 6 Density functional theory for strongly interacting electrons Gori-Giorgi, Paola
media icon DUGiMedia 2010 July 5 The Density functional triple jump Gilbert, Andrew
media icon DUGiMedia 2010 July 8 Derivative discontinuity, band gap and LUMO orbital in density functional theory Yang, Weitao
media icon DUGiMedia 2010 July 8 Describing dissociation in variational second order density matrix theory Van Aggelen, Helen
media icon DUGiMedia 2010 July 5 The Dual descriptor: physical bases and application to ground and low excited states Morell, Christophe
media icon DUGiMedia 2010 July 7 Electronic excited states of F-elements in solids Seijo, Luis
media icon DUGiMedia 2010 July 5 Energy and entropy decomposition using the electron density Ayers, Paul
media icon DUGiMedia 2010 July 8 Explicitly correlated F12 methods using CUSP conditions Ten-no, Seiichiro
media icon DUGiMedia 2010 July 7 A Fractional view of the exchange-correlation functional in density-functional theory Mori-Sánchez, Paula
media icon DUGiMedia 2010 July 6 Ground and excited state aromaticity and antiaromaticity: magnetic criteria and the valence-bond picture Karadakov, Peter
media icon DUGiMedia 2010 July 5 A Hierarchical set of one electron functions in real space Martín-Pendás, Angel
  1  2  3   

Subjects

Authors