| ADF2017 EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ... SCM, Theoretical Chemistry, 2017 | 590* | 2017 |
| 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 | 522 | 2014 |
| Self-assembled organic nanowires for high power density lithium ion batteries C Luo, R Huang, R Kevorkyants, M Pavanello, H He, C Wang Nano letters 14 (3), 1596-1602, 2014 | 216 | 2014 |
| Born–Oppenheimer and non-Born–Oppenheimer, atomic and molecular calculations with explicitly correlated Gaussians S Bubin, M Pavanello, WC Tung, KL Sharkey, L Adamowicz Chemical reviews 113 (1), 36-79, 2013 | 179 | 2013 |
| Modelling charge transfer reactions with the frozen density embedding formalism M Pavanello, J Neugebauer The Journal of chemical physics 135 (23), 2011 | 111 | 2011 |
| Precision measurements and computations of transition energies in rotationally cold triatomic hydrogen ions up to the midvisible spectral range M Pavanello, L Adamowicz, A Alijah, NF Zobov, II Mizus, OL Polyansky, ... Physical review letters 108 (2), 023002, 2012 | 108 | 2012 |
| Theoretical Chemistry EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ... Vrije Universiteit, Amsterdam, The Netherlands https://www. scm. com, 2014 | 104 | 2014 |
| Fullerene as an electron buffer: charge transfer in Li@ C60 M Pavanello, AF Jalbout, B Trzaskowski, L Adamowicz Chemical physics letters 442 (4-6), 339-343, 2007 | 100 | 2007 |
| Subsystem density-functional theory as an effective tool for modeling ground and excited states, their dynamics and many-body interactions A Krishtal, D Sinha, A Genova, M Pavanello Journal of Physics: Condensed Matter 27 (18), 183202, 2015 | 96 | 2015 |
| Calibration-quality adiabatic potential energy surfaces for H3+ and its isotopologues M Pavanello, L Adamowicz, A Alijah, NF Zobov, II Mizus, OL Polyansky, ... The Journal of Chemical Physics 136 (18), 2012 | 90 | 2012 |
| An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings M Pavanello, T Van Voorhis, L Visscher, J Neugebauer The Journal of chemical physics 138 (5), 2013 | 88 | 2013 |
| Nonlocal kinetic energy functionals by functional integration W Mi, A Genova, M Pavanello The Journal of Chemical Physics 148 (18), 184107, 2018 | 80 | 2018 |
| ADF2014. SCM. Theoretical Chemistry. Vrije Universiteit. Amsterdam EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, O Baseggio, D Bashford, ... The Netherlands, 2014 | 73* | 2014 |
| Very accurate potential energy curve of the LiH molecule WC Tung, M Pavanello, L Adamowicz The Journal of chemical physics 134 (6), 2011 | 67 | 2011 |
| On the subsystem formulation of linear-response time-dependent DFT M Pavanello The Journal of Chemical Physics 138 (20), 2013 | 62 | 2013 |
| Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu (111) and Au (111) GJ Kroes, M Pavanello, M Blanco-Rey, M Alducin, DJ Auerbach The Journal of Chemical Physics 141 (5), 2014 | 59 | 2014 |
| Adiabatic energy loss in hyperthermal H atom collisions with Cu and Au: A basis for testing the importance of nonadiabatic energy loss M Pavanello, DJ Auerbach, AM Wodtke, M Blanco-Rey, M Alducin, ... The Journal of Physical Chemistry Letters 4 (21), 3735-3740, 2013 | 59 | 2013 |
| High-accuracy calculations of the ground, 1 A11′, and the 2 A11′, 2 A31′, and 1 E1′ excited states of H3+ M Pavanello, L Adamowicz The Journal of chemical physics 130 (3), 2009 | 56 | 2009 |
| Low-lying excited states by constrained DFT P Ramos, M Pavanello The Journal of Chemical Physics 148 (14), 2018 | 55 | 2018 |
| Performance of frozen density embedding for modeling hole transfer reactions P Ramos, M Papadakis, M Pavanello The Journal of Physical Chemistry B 119 (24), 7541-7557, 2015 | 55 | 2015 |
Ludwik AdamowiczNicolaus Copernicus UniversityVerified email at email.arizona.edu