Nanoscaffold mediates hydrogen release and the reactivity of ammonia borane A Gutowska, L Li, Y Shin, CM Wang, XS Li, JC Linehan, RS Smith, ... Angewandte Chemie 117 (23), 3644-3648, 2005 | 949 | 2005 |
Role of water in electron-initiated processes and radical chemistry: Issues and scientific advances BC Garrett, DA Dixon, DM Camaioni, DM Chipman, MA Johnson, ... Chemical reviews 105 (1), 355-390, 2004 | 704 | 2004 |
NWChem, A computational chemistry package for parallel computers, version 5.1 EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, M Valiev, ... Pacific Northwest National Laboratory, Richland, Washington 99352, 0999, 2007 | 560 | 2007 |
Thermodynamic stability of high-K dielectric metal oxides and in contact with Si and M Gutowski, JE Jaffe, CL Liu, M Stoker, RI Hegde, RS Rai, PJ Tobin Applied Physics Letters 80 (11), 1897-1899, 2002 | 501 | 2002 |
Weak interactions between small systems. Models for studying the nature of intermolecular forces and challenging problems for ab initio calculations G Chalasinski, M Gutowski Chemical Reviews 88 (6), 943-962, 1988 | 365 | 1988 |
Experimental determination of valence band maxima for and SrO and the associated valence band offsets with Si(001) SA Chambers, T Droubay, TC Kaspar, M Gutowski Journal of Vacuum Science & Technology B: Microelectronics and Nanometer …, 2004 | 317 | 2004 |
Low-temperature polymorphs of and : A density-functional theory study JE Jaffe, RA Bachorz, M Gutowski Physical Review B—Condensed Matter and Materials Physics 72 (14), 144107, 2005 | 275 | 2005 |
The basis set superposition error in correlated electronic structure calculations M Gutowski, JH Van Lenthe, J Verbeek, FB Van Duijneveldt, ... Chemical Physics Letters 124 (4), 370-375, 1986 | 266 | 1986 |
Accuracy of the Boys and Bernardi function counterpoise method M Gutowski, J van Duijneveldt‐van de Rijdt, JH van Lenthe, ... The Journal of chemical physics 98 (6), 4728-4737, 1993 | 259 | 1993 |
NWCHEM, a computational chemistry package for parallel computers, Version 4.6 TP Straatsma, E Apra, TL Windus, EJ Bylaska, W de Jong, S Hirata, ... Pacific Northwest National Laboratory, Richland, Washington, 99352-0999, 2004 | 238 | 2004 |
Thermodynamic Properties of Molecular Borane Amines and the [BH4-][NH4+] Salt for Chemical Hydrogen Storage Systems from ab Initio Electronic Structure … DA Dixon, M Gutowski The Journal of Physical Chemistry A 109 (23), 5129-5135, 2005 | 227 | 2005 |
NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... American Institute of Physics, 2020 | 215 | 2020 |
Relative stabilities of fullerene, cumulene, and polyacetylene structures for Cn: n= 18–60 M Feyereisen, M Gutowski, J Simons, J Almlöf The Journal of chemical physics 96 (4), 2926-2932, 1992 | 210 | 1992 |
Dipole-bound anions of glycine based on the zwitterion and neutral structures M Gutowski, P Skurski, J Simons Journal of the American Chemical Society 122 (41), 10159-10162, 2000 | 207 | 2000 |
Critical evaluation of some computational approaches to the problem of basis set superposition error M Gutowski The Journal of chemical physics 98 (7), 5540-5554, 1993 | 198 | 1993 |
Helium cluster isolation spectroscopy of alkali dimers in the triplet manifold J Higgins, C Callegari, J Reho, F Stienkemeier, WE Ernst, M Gutowski, ... The Journal of Physical Chemistry A 102 (26), 4952-4965, 1998 | 194 | 1998 |
Proper correction for the basis set superposition error in SCF calculations of intermolecular interactions M Gutowski, FB Van Duijneveldt, G Chałasiński, L Piela Molecular Physics 61 (1), 233-247, 1987 | 194 | 1987 |
Contribution of electron correlation to the stability of dipole-bound anionic states M Gutowski, P Skurski, AI Boldyrev, J Simons, KD Jordan Physical Review A 54 (3), 1906, 1996 | 191 | 1996 |
Small multiply charged anions as building blocks in chemistry AI Boldyrev, M Gutowski, J Simons Accounts of chemical research 29 (10), 497-502, 1996 | 182 | 1996 |
How to choose a one‐electron basis set to reliably describe a dipole‐bound anion P Skurski, M Gutowski, J Simons International Journal of Quantum Chemistry 80 (4‐5), 1024-1038, 2000 | 180 | 2000 |