Célia Fonseca Guerra

Chemistry with ADF

G. te Velde, F. Matthias Bickelhaupt, Evert Jan Baerends et al. · Journal of Computational Chemistry · 2001 · 9.9K citations

Engineering, Chemical Analysis, Theoretical Inorganic Chemistry +17

Towards an order- N DFT method

Célia Fonseca Guerra, J. G. Snijders, G. te Velde et al. · Theoretical Chemistry Accounts · 1998 · 2.7K citations

Numerical Analysis, Order Theory, Engineering +4

Towards an order-

Célia Fonseca Guerra, J. G. Snijders, G. te Velde et al. · Theoretical Chemistry Accounts · 1998 · 1.5K citations · Full text

Order Theory, Humanities, Sorting Algorithm +2

Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis

Célia Fonseca Guerra, Jan‐Willem Handgraaf, Evert Jan Baerends et al. · Journal of Computational Chemistry · 2003 · 1.2K citations

Engineering, Voronoi Deformation Density, Computational Chemistry +17

Hydrogen Bonding in DNA Base Pairs:  Reconciliation of Theory and Experiment

Célia Fonseca Guerra, F. Matthias Bickelhaupt, J. G. Snijders et al. · Journal of the American Chemical Society · 2000 · 446 citations · Full text