| Chemistry with ADF G Te Velde, FM Bickelhaupt, EJ Baerends, C Fonseca Guerra, ... Journal of Computational Chemistry 22 (9), 931-967, 2001 | 9765 | 2001 |
| Amsterdam density functional EJ Baerends, J Autschbach, A Bérces, C Bo, PM Boerrigter, L Cavallo, ... URL http://www. scm. com, 2006 | 5503* | 2006 |
| Towards an order-N DFT method C Fonseca Guerra, JG Snijders, G Te Velde, EJ Baerends Theoretical Chemistry Accounts 99, 391-403, 1998 | 4568 | 1998 |
| 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 | 1080 | 2004 |
| ADF 2009 EJ Baerends, A Berces, C Bo, PM Boerrigter, L Cavallo, L Deng, ... SCM, Theoretical Chemistry (Vrije Universiteit, Amsterdam, 2009), 2000 | 602* | 2000 |
| 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 | 493 | 2000 |
| 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 | 424 | 2003 |
| 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 | 410 | 1999 |
| 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 | 372 | 2005 |
| 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 | 336 | 1996 |
| 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 | 184 | 2006 |
| 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 | 162* | 1999 |
| Highly accelerated inverse electron-demand cycloaddition of electron-deficient azides with aliphatic cyclooctynes J Dommerholt, O Van Rooijen, A Borrmann, CF Guerra, FM Bickelhaupt, ... Nature Communications 5 (1), 5378, 2014 | 160 | 2014 |
| 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 | 153 | 2011 |
| π-π stacking tackled with density functional theory M Swart, T van der Wijst, C Fonseca Guerra, FM Bickelhaupt Journal of molecular modeling 13, 1245-1257, 2007 | 145 | 2007 |
| Understanding chemical reactivity using the activation strain model P Vermeeren, SCC van der Lubbe, C Fonseca Guerra, FM Bickelhaupt, ... Nature protocols 15 (2), 649-667, 2020 | 144 | 2020 |
| 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 | 143 | 2006 |
| Adenine versus guanine quartets in aqueous solution: dispersion-corrected DFT study on the differences in π-stacking and hydrogen-bonding behavior C Fonseca Guerra, T van der Wijst, J Poater, M Swart, FM Bickelhaupt Theoretical Chemistry Accounts 125, 245-252, 2010 | 140 | 2010 |
| 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 | 127 | 2013 |
| The nature of hydrogen bonds: A delineation of the role of different energy components on hydrogen bond strengths and lengths SCC Van der Lubbe, C Fonseca Guerra Chemistry–An Asian Journal 14 (16), 2760-2769, 2019 | 110 | 2019 |
