| An implementation of the conductor-like screening model of solvation within the Amsterdam density functional package CC Pye, T Ziegler Theoretical Chemistry Accounts 101, 396-408, 1999 | 1227 | 1999 |
| ADF2013, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ... URL: http://www. scm. com, 2014 | 485 | 2014 |
| ADF2013, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ... URL: http://www. scm. com, 2014 | 472 | 2014 |
| Use of ab initio calculations toward the rational design of room temperature ionic liquids EA Turner, CC Pye, RD Singer The Journal of Physical Chemistry A 107 (13), 2277-2288, 2003 | 432 | 2003 |
| SCM, theoretical chemistry EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ... ADF2012 1, 2013 | 304* | 2013 |
| An implementation of the conductor-like screening model of solvation within the Amsterdam density functional package — Part II. COSMO for real solvents1 CC Pye, T Ziegler, E Van Lenthe, JN Louwen Canadian Journal of Chemistry 87 (7), 790-797, 2009 | 211 | 2009 |
| An ab initio and Raman investigation of magnesium (II) hydration CC Pye, WW Rudolph The Journal of Physical Chemistry A 102 (48), 9933-9943, 1998 | 198 | 1998 |
| ADF2013 EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Berces, ... Amsterdam, The Netherlands: SCM, Theoretical Chemistry, Vrije Universiteit, 2013 | 197* | 2013 |
| Hydration of lithium ion in aqueous solutions W Rudolph, MH Brooker, CC Pye The Journal of Physical Chemistry 99 (11), 3793-3797, 1995 | 172 | 1995 |
| Aluminium (III) hydration in aqueous solution. A Raman spectroscopic investigation and an ab initio molecular orbital study of aluminium (III) water clusters WW Rudolph, R Mason, CC Pye Physical Chemistry Chemical Physics 2 (22), 5030-5040, 2000 | 147 | 2000 |
| Density Functional Study on Activation and Ion-Pair Formation in Group IV Metallocene and Related Olefin Polymerization Catalysts MSW Chan, K Vanka, CC Pye, T Ziegler Organometallics 18 (22), 4624-4636, 1999 | 146 | 1999 |
| A Density Functional Study of Ion-Pair Formation and Dissociation in the Reaction between Boron- and Aluminum-Based Lewis Acids with (1,2-Me2Cp)2ZrMe2 K Vanka, MSW Chan, CC Pye, T Ziegler Organometallics 19 (10), 1841-1849, 2000 | 134 | 2000 |
| Carbon-centered strong bases in phosphonium ionic liquids T Ramnial, SA Taylor, ML Bender, B Gorodetsky, PTK Lee, DA Dickie, ... The Journal of organic chemistry 73 (3), 801-812, 2008 | 127 | 2008 |
| Zinc (II) hydration in aqueous solution. A Raman spectroscopic investigation and an ab-initio molecular orbital study WW Rudolph, CC Pye Physical Chemistry Chemical Physics 1 (19), 4583-4593, 1999 | 113 | 1999 |
| Amsterdam density functional EJ Baerends, J Autschbach, A Bérces, C Bo, PM Boerrigter, L Cavallo, ... Theoretical Chemistry, Vrije Universiteit, Amsterdam (URL http://www. scm. com), 2006 | 104 | 2006 |
| An ab initio and Raman investigation of sulfate ion hydration CC Pye, WW Rudolph The Journal of Physical Chemistry A 105 (5), 905-912, 2001 | 104 | 2001 |
| Theoretical Chemistry EJ Baerends, J Autschbach, D Bashford, A Bérces, FM Bickelhaupt, C Bo, ... Vrije Universiteit, Amsterdam, The Netherlands https://www. scm. com, 2006 | 98* | 2006 |
| ADF2017, SCM, Theoretical Chemistry (Vrije Universiteit, Amsterdam, The Netherlands, 2017) EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ... There is no corresponding record for this reference.[Google Scholar], 0 | 94 | |
| An ab initio investigation of lithium ion hydration CC Pye, W Rudolph, RA Poirier The Journal of Physical Chemistry 100 (2), 601-605, 1996 | 83 | 1996 |
| An ab initio, infrared, and Raman investigation of phosphate ion hydration CC Pye, WW Rudolph The Journal of Physical Chemistry A 107 (41), 8746-8755, 2003 | 80 | 2003 |
Wolfram RudolphSenior Researcher, Technical University DresdenBestätigte E-Mail-Adresse bei tu-dresden.de
