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
954 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
711 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
561 2007 Thermodynamic stability of high-K dielectric metal oxides M Gutowski, JE Jaffe, CL Liu, M Stoker, RI Hegde, RS Rai, PJ Tobin
Applied Physics Letters 80 (11), 1897-1899, 2002
504 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 SA Chambers, T Droubay, TC Kaspar, M Gutowski
Journal of Vacuum Science & Technology B: Microelectronics and Nanometer …, 2004
318 2004 Low-temperature polymorphs of 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
267 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
261 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
216 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
195 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
192 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