| Water clusters in nonpolar cavities S Vaitheeswaran, H Yin, JC Rasaiah, G Hummer Proceedings of the National Academy of Sciences 101 (49), 17002-17005, 2004 | 265 | 2004 |
| Electric field and temperature effects on water in the narrow nonpolar pores of carbon nanotubes S Vaitheeswaran, JC Rasaiah, G Hummer The Journal of Chemical Physics 121, 7955, 2004 | 239 | 2004 |
| Automated transition state search and its application to diverse types of organic reactions LD Jacobson, AD Bochevarov, MA Watson, TF Hughes, D Rinaldo, ... Journal of chemical theory and computation 13 (11), 5780-5797, 2017 | 144 | 2017 |
| Water between plates in the presence of an electric field in an open system S Vaitheeswaran, H Yin, JC Rasaiah The Journal of Physical Chemistry B 109 (14), 6629-6635, 2005 | 103 | 2005 |
| Hydrophobic and Ionic Interactions in Nano-sized Water Droplets S Vaitheeswaran, D Thirumalai Journal of the American Chemical Society 128, 13490-13496, 2006 | 73 | 2006 |
| Interactions between amino acid side chains in cylindrical hydrophobic nanopores with applications to peptide stability S Vaitheeswaran, D Thirumalai Proceedings of the National Academy of Sciences 105 (46), 17636-17641, 2008 | 56 | 2008 |
| On the Way to biofuels from furan: discriminating diels–alder and ring-opening mechanisms S Vaitheeswaran, SK Green, P Dauenhauer, SM Auerbach ACS Catalysis 3 (9), 2012-2019, 2013 | 54 | 2013 |
| Protein stability at a carbon nanotube interface S Vaitheeswaran, AE Garcia The Journal of Chemical Physics 134 (12), 2011 | 40 | 2011 |
| Density functional theory study of mixed aldol condensation catalyzed by acidic zeolites HZSM-5 and HY AN Migues, S Vaitheeswaran, SM Auerbach The Journal of Physical Chemistry C 118 (35), 20283-20290, 2014 | 31 | 2014 |
| On the rational design of zeolite clusters AN Migues, A Muskat, SM Auerbach, W Sherman, S Vaitheeswaran ACS Catalysis 5 (5), 2859-2865, 2015 | 27 | 2015 |
| Water-mediated interactions between hydrophobic and ionic species in cylindrical nanopores S Vaitheeswaran, G Reddy, D Thirumalai The Journal of Chemical Physics 130 (9), 2009 | 14 | 2009 |
| On the rational design of zeolite clusters for converging reaction barriers: Quantum study of aldol kinetics confined in HZSM-5 AN Migues, Q Sun, S Vaitheeswaran, W Sherman, SM Auerbach The Journal of Physical Chemistry C 122 (40), 23230-23241, 2018 | 10 | 2018 |
| Hydrophobic and ionic-interactions in bulk and confined water with implications for collapse and folding of proteins S Vaitheeswaran, J Chen, D Thirumalai Journal of Statistical Physics 145, 276-292, 2011 | 8 | 2011 |
| Entropy and enthalpy of interaction between amino acid side chains in nanopores S Vaitheeswaran, D Thirumalai The Journal of Chemical Physics 141 (22), 2014 | 3 | 2014 |
| DFT study of the mixed aldol condensation reaction catalyzed by acidic zeolites HZSM-5 and HY AN Migues, S Vaitheeswaran, SM Auerbach ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014 | 1 | 2014 |
| Aldol condensation of biomass-derived feedstocks in HZSM-5 zeolite: Quantum chemistry and experiments point to keto/enol as the rate-determining step A Migues, Q Sun, S Vaitheeswaran, W Sherman, X Qi, W Fan, S Auerbach ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
| Density functional theory study of aldol condensation reactions between acetone and biomass-derived aldehydes in delta clusters of HZSM-5 A Migues, S Vaitheeswaran, A Muskat, W Sherman, S Auerbach ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
| DFT studies of biomass conversion catalyzed by acidic zeolites S Vaitheeswaran ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014 | | 2014 |
| Water clusters in nonpolar cavities JC Rasaiah, S Vaitheeswaran, H Yin, G Hummer ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 230, U2901-U2902, 2005 | | 2005 |
| Water between plates in the presence of an electric field S Vaitheeswaran, H Yin, JC Rasaiah ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 230, U2904-U2904, 2005 | | 2005 |
