| Chemistry with ADF G Te Velde, FM Bickelhaupt, EJ Baerends, C Fonseca Guerra, ... Journal of Computational Chemistry 22 (9), 931-967, 2001 | 10030 | 2001 |
| Kohn‐Sham Density Functional Theory: Predicting and Understanding Chemistry FM Bickelhaupt, EJ Baerends Reviews in Computational Chemistry, Volume 15, 1-86, 2007 | 1629 | 2007 |
| 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 | 1097 | 2004 |
| Analyzing reaction rates with the distortion/interaction‐activation strain model FM Bickelhaupt, KN Houk Angewandte Chemie International Edition 56 (34), 10070-10086, 2017 | 1058 | 2017 |
| Analyzing reaction rates with the distortion/interaction‐activation strain model FM Bickelhaupt, KN Houk Angewandte Chemie International Edition 56 (34), 10070-10086, 2017 | 1053 | 2017 |
| The activation strain model of chemical reactivity WJ van Zeist, FM Bickelhaupt Organic & biomolecular chemistry 8 (14), 3118-3127, 2010 | 625 | 2010 |
| The activation strain model and molecular orbital theory: understanding and designing chemical reactions I Fernández, FM Bickelhaupt Chemical Society Reviews 43 (14), 4953-4967, 2014 | 603 | 2014 |
| Understanding reactivity with Kohn–Sham molecular orbital theory: E2–SN2 mechanistic spectrum and other concepts FM Bickelhaupt Journal of computational chemistry 20 (1), 114-128, 1999 | 571 | 1999 |
| 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 | 503 | 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 | 445 | 2003 |
| ADF2017, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ... ADF. Available online: http://www. scm. com (accessed on 20 April 2020), 2014 | 434 | 2014 |
| The nature of the hydrogen bond in DNA base pairs: the role of charge transfer and resonance assistance CF Guerra, FM Bickelhaupt, JG Snijders, EJ Baerends Chemistry-A European Journal 5, 3581, 1999 | 426 | 1999 |
| Hydrogen–hydrogen bonding in planar biphenyl, predicted by atoms‐in‐molecules theory, does not exist J Poater, M Solŕ, FM Bickelhaupt Chemistry–A European Journal 12 (10), 2889-2895, 2006 | 410 | 2006 |
| ADF2017, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ... ADF. Available online: http://www. scm. com (accessed on 20 April 2020), 2014 | 406 | 2014 |
| 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 | 384 | 2005 |
| Reviews in computational chemistry FM Bickelhaupt, EJ Baerends, KB Lipkowitz, DB Boyd Wiley-VCH 15, 1-86, 2000 | 364 | 2000 |
| The case for steric repulsion causing the staggered conformation of ethane FM Bickelhaupt, EJ Baerends Angewandte Chemie 115 (35), 4315-4320, 2003 | 359 | 2003 |
| 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 | 346 | 1996 |
| Orbital overlap and chemical bonding A Krapp, FM Bickelhaupt, G Frenking Chemistry–A European Journal 12 (36), 9196-9216, 2006 | 303 | 2006 |
| The activation strain model and molecular orbital theory LP Wolters, FM Bickelhaupt Wiley Interdisciplinary Reviews: Computational Molecular Science 5 (4), 324-343, 2015 | 301 | 2015 |
