Quantum chemistry -- Congresses
Listing items with Subject "Quantum chemistry -- Congresses"
52 items found
Showing titles from 0 to 25:
| Format | Date | Title | Author |
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| Format | Date | Title | Author |
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2010 July 5 |
Anatomy of Bond Formation. Insights from the Analysis of Domain-Averaged Fermi Holes in Momentum Space |
Ponec, Robert
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2010 July 8 |
Anharmonicity as a possible explenation of the Eigen-Zundel dilema in the IR spectrum of H+(H2O)21 |
Torrent Sucarrat, Miquel
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2010 July 7 |
Applying quantum chemistry to solids and liquids |
Allan, Neil
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2010 July 8 |
Aromaticity and the electron localization function, ELF |
Fuentealba, Patricio
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2010 July 7 |
Atomistic modeling of multimillion atom nanostructures |
Zielinski, Michal
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2010 July 6 |
Benchmark full configuration interaction calculations for the ground state of three-electron harmonium atoms |
Matito i Gras, Eduard
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2010 July 6 |
Benchmark full configuration interaction calculations on harmonium atoms |
Cioslowski, Jerzy
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2010 July 7 |
Carbones, silylones, germylones, stannylones |
Frenking, Gernot
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2010 July 8 |
Closing |
SolĂ i Puig, Miquel
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2010 July 6 |
Computationally efficient and accurate dispersion correction for density functional theory |
Grimme, Stefan
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2010 July 6 |
Computational modeling of hole transfer in DNA-protein complexes |
Butchosa, Cristina
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2010 July 6 |
Conceptual density functional theory: the linear response function and third order derivatives |
Geerlings, Paul
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2010 July 6 |
Confining electrons with Hooke and Yukawa like potentials |
Ugalde, Jesus M.
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2010 July 6 |
Density extrapolation in conformational domains using a reference density matrix and explicit overlap matrix dependence |
Mezey, Paul
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2010 July 6 |
Density functional theory for strongly interacting electrons |
Gori-Giorgi, Paola
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2010 July 5 |
The Density functional triple jump |
Gilbert, Andrew
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2010 July 8 |
Derivative discontinuity, band gap and LUMO orbital in density functional theory |
Yang, Weitao
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2010 July 8 |
Describing dissociation in variational second order density matrix theory |
Van Aggelen, Helen
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2010 July 5 |
The Dual descriptor: physical bases and application to ground and low excited states |
Morell, Christophe
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2010 July 7 |
Electronic excited states of F-elements in solids |
Seijo, Luis
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2010 July 5 |
Energy and entropy decomposition using the electron density |
Ayers, Paul
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2010 July 8 |
Explicitly correlated F12 methods using CUSP conditions |
Ten-no, Seiichiro
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2010 July 7 |
A Fractional view of the exchange-correlation functional in density-functional theory |
Mori-Sánchez, Paula
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2010 July 6 |
Ground and excited state aromaticity and antiaromaticity: magnetic criteria and the valence-bond picture |
Karadakov, Peter
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2010 July 5 |
A Hierarchical set of one electron functions in real space |
MartĂn-Pendás, Angel
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