| Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials K Laasonen, A Pasquarello, R Car, C Lee, D Vanderbilt Physical Review B 47 (16), 10142, 1993 | 1441 | 1993 |
| 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 | 867 | 1995 |
| ‘‘Ab initio’’ liquid water K Laasonen, M Sprik, M Parrinello, R Car The Journal of chemical physics 99 (11), 9080-9089, 1993 | 702 | 1993 |
| 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 | 627 | 1995 |
| Implementation of ultrasoft pseudopotentials in ab initio molecular dynamics K Laasonen, R Car, C Lee, D Vanderbilt Physical Review B 43 (8), 6796, 1991 | 464 | 1991 |
| Ab initio molecular dynamics for d-electron systems: Liquid copper at 1500 K A Pasquarello, K Laasonen, R Car, C Lee, D Vanderbilt Physical review letters 69 (13), 1982, 1992 | 436 | 1992 |
| Single‐shell carbon‐encapsulated iron nanoparticles: synthesis and high electrocatalytic activity for hydrogen evolution reaction M Tavakkoli, T Kallio, O Reynaud, AG Nasibulin, C Johans, J Sainio, ... Angewandte Chemie 127 (15), 4618-4621, 2015 | 245 | 2015 |
| Structural and electronic properties of La@ C82 K Laasonen, W Andreoni, M Parrinello Science 258 (5090), 1916-1918, 1992 | 236 | 1992 |
| Hydration of ion. An ab initio molecular dynamics simulation AP Lyubartsev, K Laasonen, A Laaksonen The Journal of Chemical Physics 114 (7), 3120-3126, 2001 | 229 | 2001 |
| Ab initio studies on the structural and dynamical properties of ice C Lee, D Vanderbilt, K Laasonen, R Car, M Parrinello Physical Review B 47 (9), 4863, 1993 | 208 | 1993 |
| Structures of small water clusters using gradient-corrected density functional theory K Laasonen, M Parrinello, R Car, C Lee, D Vanderbilt Chemical physics letters 207 (2-3), 208-213, 1993 | 202 | 1993 |
| Electronic and geometric structure of La@ and : Theory and experiment DM Poirier, M Knupfer, JH Weaver, W Andreoni, K Laasonen, M Parrinello, ... Physical Review B 49 (24), 17403, 1994 | 176 | 1994 |
| Ab Initio Molecular Dynamics Simulations ME Tuckerman, PJ Ungar, T Von Rosenvinge, ML Klein The Journal of Physical Chemistry 100 (31), 12878-12887, 1996 | 150 | 1996 |
| Ab initio studies on high pressure phases of ice C Lee, D Vanderbilt, K Laasonen, R Car, M Parrinello Physical review letters 69 (3), 462, 1992 | 150 | 1992 |
| Electrochemical activation of single-walled carbon nanotubes with pseudo-atomic-scale platinum for the hydrogen evolution reaction M Tavakkoli, N Holmberg, R Kronberg, H Jiang, J Sainio, EI Kauppinen, ... Acs Catalysis 7 (5), 3121-3130, 2017 | 148 | 2017 |
| Ab initio study of gas-phase sulphuric acid hydrates containing 1 to 3 water molecules H Arstila, K Laasonen, A Laaksonen The Journal of chemical physics 108 (3), 1031-1039, 1998 | 136 | 1998 |
| A density functional study on water‐sulfuric acid‐ammonia clusters and implications for atmospheric cluster formation T Kurtén, L Torpo, CG Ding, H Vehkamäki, MR Sundberg, K Laasonen, ... Journal of Geophysical Research: Atmospheres 112 (D4), 2007 | 127 | 2007 |
| Oxygen molecule dissociation on the Al (111) surface K Honkala, K Laasonen Physical review letters 84 (4), 705, 2000 | 125 | 2000 |
| Water dimer properties in the gradient-corrected density functional theory K Laasonen, F Csajka, M Parrinello Chemical physics letters 194 (3), 172-174, 1992 | 124 | 1992 |
| Biomimetic oxygen reduction by cofacial porphyrins at a liquid–liquid interface P Peljo, L Murtomäki, T Kallio, HJ Xu, M Meyer, CP Gros, JM Barbe, ... Journal of the American Chemical Society 134 (13), 5974-5984, 2012 | 110 | 2012 |
Nico HolmbergPhD Research Scientist (Computational Quantum Chemistry), Aalto UniversityVerified email at aalto.fi
