Gaussian 16/Gaussian MJ Frisch Inc, 2016 | 5461* | 2016 |
Gaussian 09, rev. D. 01 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian Inc.: Wallingford, CT, USA, 2009 | 2349 | 2009 |
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Gaussian GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ... Inc., Wallingford CT, 2009 | 773 | 2009 |
Gaussian09 Revision D. 01, Gaussian Inc., Wallingford CT, 2009 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... There is no corresponding record for this reference, 2015 | 696* | 2015 |
Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg–Teller effect: The Qx band of porphyrin … F Santoro, A Lami, R Improta, J Bloino, V Barone The Journal of chemical physics 128 (22), 2008 | 637 | 2008 |
Gaussian, Inc., Wallingford CT MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Wallingford CT, 2009 | 613 | 2009 |
Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution F Santoro, R Improta, A Lami, J Bloino, V Barone The Journal of chemical physics 126 (8), 2007 | 598 | 2007 |
Hasegawa MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Ishida, M, 2003 | 532 | 2003 |
Fully integrated approach to compute vibrationally resolved optical spectra: from small molecules to macrosystems V Barone, J Bloino, M Biczysko, F Santoro Journal of chemical theory and computation 5 (3), 540-554, 2009 | 483 | 2009 |
Fully anharmonic IR and Raman spectra of medium-size molecular systems: accuracy and interpretation V Barone, M Biczysko, J Bloino Physical Chemistry Chemical Physics 16 (5), 1759-1787, 2014 | 437 | 2014 |
Foresman, JV Ortiz, J. Cioslowski, and DJ Fox MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian 09 revision C 1, 2009 | 435 | 2009 |
A second-order perturbation theory route to vibrational averages and transition properties of molecules: General formulation and application to infrared and vibrational … J Bloino, V Barone The Journal of Chemical Physics 136 (12), 2012 | 400 | 2012 |
General time dependent approach to vibronic spectroscopy including Franck–Condon, Herzberg–Teller, and Duschinsky effects A Baiardi, J Bloino, V Barone Journal of chemical theory and computation 9 (9), 4097-4115, 2013 | 398 | 2013 |
Revision D. 01, Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc., Wallingford CT, 2009 | 396 | 2009 |
GAUSSIAN development version Revision g. 01 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian Development Version, Revision D 2, 2006 | 388* | 2006 |
Farkas, JB Foresman, JV Ortiz, J. Cioslowski and DJ Fox MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian 09 Revision A 1, 2009 | 336 | 2009 |
Harmonic and anharmonic vibrational frequency calculations with the double-hybrid B2PLYP method: analytic second derivatives and benchmark studies M Biczysko, P Panek, G Scalmani, J Bloino, V Barone Journal of Chemical Theory and Computation 6 (7), 2115-2125, 2010 | 324 | 2010 |
General perturbative approach for spectroscopy, thermodynamics, and kinetics: Methodological background and benchmark studies J Bloino, M Biczysko, V Barone Journal of Chemical Theory and Computation 8 (3), 1015-1036, 2012 | 319 | 2012 |