Carbohydrates: United Atom AMBER* Parameterization of Pyranoses and Simulations Yielding Anomeric Free Energies [J. Am. Chem. Soc. 1996, 118, 2078 … H Senderowitz, C Parish, WC Still Journal of the American Chemical Society 118 (37), 8985-8985, 1996 | 135* | 1996 |
Halogen bonding in DNA base pairs AJ Parker, J Stewart, KJ Donald, CA Parish Journal of the American Chemical Society 134 (11), 5165-5172, 2012 | 126 | 2012 |
Weakly bound complexes of carbon monoxide CA Parish, JD Augspurger, CE Dykstra The Journal of Physical Chemistry 96 (5), 2069-2079, 1992 | 94 | 1992 |
Nanoaggregates of Diverse Asphaltenes by Mass Spectrometry and Molecular Dynamics W Wang, C Taylor, H Hu, KL Humphries, A Jaini, M Kitimet, T Scott, ... Energy & Fuels 31 (9), 9140-9151, 2017 | 77 | 2017 |
An extended multireference study of the electronic states of para-benzyne EB Wang, CA Parish, H Lischka The Journal of chemical physics 129 (4), 044306, 2008 | 55 | 2008 |
Mechanisms for the reaction of thiophene and methylthiophene with singlet and triplet molecular oxygen X Song, MG Fanelli, JM Cook, F Bai, CA Parish The Journal of Physical Chemistry A 116 (20), 4934-4946, 2012 | 50 | 2012 |
Cages, baskets, ladders, and tubes: conformational studies of polyhedral oligomeric silsesquioxanes SD Hillson, E Smith, M Zeldin, CA Parish The Journal of Physical Chemistry A 109 (37), 8371-8378, 2005 | 50 | 2005 |
Triphenylamine-based receptor for selective recognition of dicarboxylates K Ghosh, I Saha, G Masanta, EB Wang, CA Parish Tetrahedron Letters 51 (2), 343-347, 2010 | 48 | 2010 |
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry H Lischka, R Shepard, T Müller, PG Szalay, RM Pitzer, AJA Aquino, ... The Journal of chemical physics 152 (13), 134110, 2020 | 44 | 2020 |
Enantioselective binding of 2, 2, 2-trifluoro-1-(9-anthryl) ethanol on a chiral stationary phase: a theoretical study KB Lipkowitz, DA Demeter, CA Parish, T Darden Analytical Chemistry 59 (13), 1731-1733, 1987 | 44 | 1987 |
A comparison of the Low Mode and Monte Carlo conformational search methods C Parish, R Lombardi, K Sinclair, E Smith, A Goldberg, M Rappleye, ... Journal of Molecular Graphics and Modelling 21 (2), 129-150, 2002 | 42 | 2002 |
Challenging disciplinary boundaries in the first year: A new introductory integrated science course for STEM majors L Gentile, L Caudill, M Fetea, AL Hill, K Hoke, B Lawson, OZ Lipan, ... Journal of College Science Teaching 41 (5), 44, 2012 | 41 | 2012 |
Diastereoselective synthesis and cytotoxic evaluation of new isoxazoles and pyrazoles with monoterpenic skeleton A Oubella, MYA Itto, A Auhmani, A Riahi, A Robert, JC Daran, H Morjani, ... Journal of Molecular Structure 1198, 126924, 2019 | 40 | 2019 |
The closing mechanism of DNA polymerase I at atomic resolution BR Miller III, LS Beese, CA Parish, EY Wu Structure 23 (9), 1609-1620, 2015 | 36 | 2015 |
Tuning the Bergman cyclization by introduction of metal fragments at various positions of the enediyne. metalla-Bergman cyclizations EM Brzostowska, R Hoffmann, CA Parish Journal of the American Chemical Society 129 (14), 4401-4409, 2007 | 36 | 2007 |
Pairwise and many‐body contributions to interaction potentials in Hen clusters CA Parish, CE Dykstra The Journal of chemical physics 98 (1), 437-443, 1993 | 34 | 1993 |
Three‐body analytical potential for interacting helium atoms CA Parish, CE Dykstra The Journal of chemical physics 101 (9), 7618-7624, 1994 | 33 | 1994 |
Pyrolysis mechanisms of thiophene and methylthiophene in asphaltenes X Song, CA Parish The Journal of Physical Chemistry A 115 (13), 2882-2891, 2011 | 32 | 2011 |
Halogen Bonding Interactions for Aromatic and Non-Aromatic Explosive Detection A Jaini, L Hughes, M Kitimet, KJ Ulep, MC Leopold, CA Parish ACS sensors, 2019 | 29 | 2019 |
Modeling Oil Shale Pyrolysis: High-Temperature Unimolecular Decomposition Pathways for Thiophene AGK Vasiliou, H Hu, TW Cowell, JC Whitman, J Porterfield, CA Parish The Journal of Physical Chemistry A 121 (40), 7655-7666, 2017 | 27 | 2017 |