| Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in water M Tuckerman, K Laasonen, M Sprik, M Parrinello The Journal of chemical physics 103 (1), 150-161, 1995 | 1011 | 1995 |
| Free energy from constrained molecular dynamics M Sprik, G Ciccotti The Journal of chemical physics 109 (18), 7737-7744, 1998 | 993 | 1998 |
| ‘‘Ab initio’’ liquid water K Laasonen, M Sprik, M Parrinello, R Car The Journal of chemical physics 99 (11), 9080-9089, 1993 | 780 | 1993 |
| Ab initio molecular dynamics simulation of liquid water: Comparison of three gradient‐corrected density functionals M Sprik, J Hutter, M Parrinello The Journal of chemical physics 105 (3), 1142-1152, 1996 | 740 | 1996 |
| Ab initio molecular dynamics simulation of the solvation and transport of H3O+ and OH-ions in water M Tuckerman, K Laasonen, M Sprik, M Parrinello The Journal of Physical Chemistry 99 (16), 5749-5752, 1995 | 730 | 1995 |
| A polarizable model for water using distributed charge sites M Sprik, ML Klein The Journal of Chemical Physics 89 (12), 7556-7560, 1988 | 614 | 1988 |
| The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water J VandeVondele, F Mohamed, M Krack, J Hutter, M Sprik, M Parrinello The Journal of chemical physics 122 (1), 2005 | 587 | 2005 |
| Molecular model for aqueous ferrous–ferric electron transfer RA Kuharski, JS Bader, D Chandler, M Sprik, ML Klein, RW Impey The Journal of chemical physics 89 (5), 3248-3257, 1988 | 582 | 1988 |
| The silica–water interface: how the silanols determine the surface acidity and modulate the water properties M Sulpizi, MP Gaigeot, M Sprik Journal of chemical theory and computation 8 (3), 1037-1047, 2012 | 486 | 2012 |
| Influence of surface topology and electrostatic potential on water/electrode systems JI Siepmann, M Sprik The Journal of chemical physics 102 (1), 511-524, 1995 | 466 | 1995 |
| New generalized gradient approximation functionals AD Boese, NL Doltsinis, NC Handy, M Sprik The Journal of Chemical Physics 112 (4), 1670-1678, 2000 | 464 | 2000 |
| Liquid water from first principles: Investigation of different sampling approaches IFW Kuo, CJ Mundy, MJ McGrath, JI Siepmann, J VandeVondele, M Sprik, ... The Journal of Physical Chemistry B 108 (34), 12990-12998, 2004 | 428 | 2004 |
| A density‐functional study of the intermolecular interactions of benzene EJ Meijer, M Sprik The Journal of chemical physics 105 (19), 8684-8689, 1996 | 330 | 1996 |
| Alignment of electronic energy levels at electrochemical interfaces J Cheng, M Sprik Physical Chemistry Chemical Physics 14 (32), 11245-11267, 2012 | 313 | 2012 |
| Ab initio molecular dynamics computation of the infrared spectrum of aqueous uracil MP Gaigeot, M Sprik The Journal of Physical Chemistry B 107 (38), 10344-10358, 2003 | 306 | 2003 |
| Computer simulation of the dynamics of induced polarization fluctuations in water M Sprik The Journal of Physical Chemistry 95 (6), 2283-2291, 1991 | 265 | 1991 |
| Acidity of edge surface sites of montmorillonite and kaolinite X Liu, X Lu, M Sprik, J Cheng, EJ Meijer, R Wang Geochimica et Cosmochimica Acta 117, 180-190, 2013 | 245 | 2013 |
| Staging: A sampling technique for the Monte Carlo evaluation of path integrals M Sprik, ML Klein, D Chandler Physical Review B 31 (7), 4234, 1985 | 239 | 1985 |
| Electronic structure and solvation of copper and silver ions: a theoretical picture of a model aqueous redox reaction J Blumberger, L Bernasconi, I Tavernelli, R Vuilleumier, M Sprik Journal of the American Chemical Society 126 (12), 3928-3938, 2004 | 235 | 2004 |
| Redox potentials and acidity constants from density functional theory based molecular dynamics J Cheng, X Liu, J VandeVondele, M Sulpizi, M Sprik Accounts of Chemical Research 47 (12), 3522-3529, 2014 | 230 | 2014 |
Marialore SulpiziRuhr Universität BochumZweryfikowany adres z ruhr-uni-bochum.de
