Célia Fonseca Guerra
Célia Fonseca Guerra
Professor of Applied Theoretical Chemistry, Universiteit Leiden and VU Amsterdam
Verified email at vu.nl - Homepage
TitleCited byYear
Chemistry with ADF
G Te Velde, FM Bickelhaupt, EJ Baerends, C Fonseca Guerra, ...
Journal of Computational Chemistry 22 (9), 931-967, 2001
71872001
Amsterdam density functional
EJ Baerends, J Autschbach, A Bérces, C Bo, PM Boerrigter, L Cavallo, ...
Theoretical Chemistry, Vrije Universiteit, Amsterdam, URL http://www. scm …, 2006
4690*2006
Towards an order-N DFT method
CF Guerra, JG Snijders, G te Velde, EJ Baerends
Theoretical Chemistry Accounts 99 (6), 391-403, 1998
38071998
Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis
C Fonseca Guerra, JW Handgraaf, EJ Baerends, FM Bickelhaupt
Journal of computational chemistry 25 (2), 189-210, 2004
7092004
ADF 2009
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
SCM, Theoretical Chemistry (Vrije Universiteit, Amsterdam, 2009), 2009
410*2009
Hydrogen bonding in DNA base pairs: reconciliation of theory and experiment
C Fonseca Guerra, FM Bickelhaupt, JG Snijders, EJ Baerends
Journal of the American Chemical Society 122 (17), 4117-4128, 2000
3992000
The nature of the hydrogen bond in DNA base pairs: the role of charge transfer and resonance assistance
C Fonseca Guerra, FM Bickelhaupt, JG Snijders, EJ Baerends
Chemistry–A European Journal 5 (12), 3581-3594, 1999
3511999
Charge transport in columnar stacked triphenylenes: Effects of conformational fluctuations on charge transfer integrals and site energies
K Senthilkumar, FC Grozema, FM Bickelhaupt, LDA Siebbeles
The Journal of chemical physics 119 (18), 9809-9817, 2003
3452003
Absolute rates of hole transfer in DNA
K Senthilkumar, FC Grozema, CF Guerra, FM Bickelhaupt, FD Lewis, ...
Journal of the American Chemical Society 127 (42), 14894-14903, 2005
3202005
The Carbon−Lithium Electron Pair Bond in (CH3Li)n (n = 1, 2, 4)
FM Bickelhaupt, NJR van Eikema Hommes, C Fonseca Guerra, ...
Organometallics 15 (13), 2923-2931, 1996
2701996
SCM, theoretical chemistry
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
ADF2012 1, 2013
203*2013
Performance of various density functionals for the hydrogen bonds in DNA base pairs
T van der Wijst, CF Guerra, M Swart, FM Bickelhaupt
Chemical Physics Letters 426 (4-6), 415-421, 2006
1582006
Charge transfer and environment effects responsible for characteristics of DNA base pairing
C Fonseca Guerra, FM Bickelhaupt
Angewandte Chemie International Edition 38 (19), 2942-2945, 1999
146*1999
Adenine tautomers: relative stabilities, ionization energies, and mismatch with cytosine
C Fonseca Guerra, FM Bickelhaupt, S Saha, F Wang
The Journal of Physical Chemistry A 110 (11), 4012-4020, 2006
1282006
π-π stacking tackled with density functional theory
M Swart, T van der Wijst, CF Guerra, FM Bickelhaupt
Journal of molecular modeling 13 (12), 1245-1257, 2007
1162007
Adenine versus guanine quartets in aqueous solution: dispersion-corrected DFT study on the differences in π-stacking and hydrogen-bonding behavior
CF Guerra, T van der Wijst, J Poater, M Swart, FM Bickelhaupt
Theoretical Chemistry Accounts 125 (3-6), 245-252, 2010
1082010
Telomere structure and stability: covalency in hydrogen bonds, not resonance assistance, causes cooperativity in guanine quartets
C Fonseca Guerra, H Zijlstra, G Paragi, FM Bickelhaupt
Chemistry–A European Journal 17 (45), 12612-12622, 2011
1032011
Normal-to-abnormal rearrangement and nhc activation in three-coordinate iron (ii) carbene complexes
BM Day, T Pugh, D Hendriks, CF Guerra, DJ Evans, FM Bickelhaupt, ...
Journal of the American Chemical Society 135 (36), 13338-13341, 2013
952013
Orbital interactions in strong and weak hydrogen bonds are essential for DNA replication
C Fonseca Guerra, FM Bickelhaupt
Angewandte Chemie International Edition 41 (12), 2092-2095, 2002
932002
Methods and Techniques for Computational Chemistry
C Fonseca Guerra, O Visser, JG Snijders, G Te Velde, EJ Baerends
Clementi, E, 305, 1995
931995
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Articles 1–20