Catalytic molten metals for the direct conversion of methane to hydrogen and separable carbon DC Upham, V Agarwal, A Khechfe, ZR Snodgrass, MJ Gordon, H Metiu, ... Science 358 (6365), 917-921, 2017 | 397 | 2017 |
Ab initio dynamics of cellulose pyrolysis: Nascent decomposition pathways at 327 and 600 C V Agarwal, PJ Dauenhauer, GW Huber, SM Auerbach Journal of the American Chemical Society 134 (36), 14958-14972, 2012 | 156 | 2012 |
Simulating infrared spectra and hydrogen bonding in cellulose Iβ at elevated temperatures V Agarwal, GW Huber, WC Conner, SM Auerbach The Journal of chemical physics 135 (13), 2011 | 120 | 2011 |
Solute precipitate nucleation: A review of theory and simulation advances V Agarwal, B Peters Advances in Chemical Physics: Volume 155, 97-160, 2014 | 81 | 2014 |
Oxygen Vacancy Formation on α-MoO3 Slabs and Ribbons V Agarwal, H Metiu The Journal of Physical Chemistry C 120 (34), 19252-19264, 2016 | 50 | 2016 |
Simultaneous production of diacetone alcohol and mesityl oxide from acetone using reactive distillation S Thotla, V Agarwal, SM Mahajani Chemical Engineering Science 62 (18-20), 5567-5574, 2007 | 48 | 2007 |
Spectroscopic signatures of nitrogen-substituted zeolites KD Hammond, F Dogan, GA Tompsett, V Agarwal, WC Conner Jr, ... Journal of the American Chemical Society 130 (45), 14912-14913, 2008 | 44 | 2008 |
Aldol condensation of acetone with reactive distillation using water as a selectivity enhancer S Thotla, V Agarwal, SM Mahajani Industrial & engineering chemistry research 46 (25), 8371-8379, 2007 | 38 | 2007 |
DFT study of nitrided zeolites: Mechanism of nitrogen substitution in HY and silicalite V Agarwal, GW Huber, WC Conner Jr, SM Auerbach Journal of Catalysis 269 (1), 53-63, 2010 | 37 | 2010 |
Attainable regions of reactive distillation—Part I. Single reactant non-azeotropic systems V Agarwal, S Thotla, SM Mahajani Chemical Engineering Science 63 (11), 2946-2965, 2008 | 35 | 2008 |
Nucleation near the eutectic point in a Potts-lattice gas model V Agarwal, B Peters The Journal of chemical physics 140 (8), 2014 | 26 | 2014 |
Attainable regions of reactive distillation. Part II: Single reactant azeotropic systems V Agarwal, S Thotla, R Kaur, SM Mahajani Chemical engineering science 63 (11), 2928-2945, 2008 | 26 | 2008 |
Energy of Oxygen-Vacancy Formation on Oxide Surfaces: Role of the Spatial Distribution V Agarwal, H Metiu The Journal of Physical Chemistry C 120 (4), 2320-2323, 2016 | 25 | 2016 |
DFT study of nitrogen-substituted FAU: Effects of ion exchange and aluminum content on base strength V Agarwal, WC Conner Jr, SM Auerbach The Journal of Physical Chemistry C 115 (1), 188-194, 2011 | 14 | 2011 |
Kinetic stability of nitrogen-substituted sites in HY and silicalite from first principles V Agarwal, GW Huber, WC Conner Jr, SM Auerbach Journal of Catalysis 270 (2), 249-255, 2010 | 14 | 2010 |
Hydrogen abstraction energies and ammonia binding to BEA, ZSM-5, and α-quartz doped with Al, Sc, B, or Ga V Agarwal, H Metiu The Journal of Physical Chemistry C 119 (28), 16106-16114, 2015 | 12 | 2015 |
Rates of adsorption and desorption: Entropic contributions and errors due to mean-field approximations V Agarwal, H Metiu The Journal of chemical physics 150 (18), 2019 | 5 | 2019 |
The Role of Computations in Catalysis H Metiu, V Agarwal, HH Kristoffersen Reviews in Computational Chemistry 31, 2018 | 4 | 2018 |
Selectivity engineering with reactive distillation: determination of attainable region V Agarwal, S Thotla, SM Mahajani INSTITUTION OF CHEMICAL ENGINEERS SYMPOSIUM SERIES 152, 73, 2006 | 4 | 2006 |
Nascent Decomposition Pathways of CH4 Pyrolysis in Gas-Phase Metal Halides SK Dutta, S Ghosh, H Metiu, V Agarwal The Journal of Physical Chemistry A 126 (35), 5900-5910, 2022 | 2 | 2022 |