| Non-linear optical properties of novel fluorenyl derivatives—ab initio quantum chemical calculations KS Thanthiriwatte, KMN De Silva Journal of Molecular Structure: THEOCHEM 617 (1-3), 169-175, 2002 | 496 | 2002 |
| Assessment of the performance of DFT and DFT-D methods for describing distance dependence of hydrogen-bonded interactions KS Thanthiriwatte, EG Hohenstein, LA Burns, CD Sherrill Journal of Chemical Theory and Computation 7 (1), 88-96, 2011 | 462 | 2011 |
| Potential energy curves for cation− π interactions: off-axis configurations are also attractive MS Marshall, RP Steele, KS Thanthiriwatte, CD Sherrill The Journal of Physical Chemistry A 113 (48), 13628-13632, 2009 | 173 | 2009 |
| Gas Phase Properties of MX2 and MX4 (X = F, Cl) for M = Group 4, Group 14, Cerium, and Thorium KS Thanthiriwatte, M Vasiliu, SR Battey, Q Lu, KA Peterson, L Andrews, ... The Journal of Physical Chemistry A 119 (22), 5790-5803, 2015 | 44 | 2015 |
| Tipping Point for Expansion of Layered Aluminosilicates in Weakly Polar Solvents: Supercritical CO2 HT Schaef, N Loganathan, GM Bowers, RJ Kirkpatrick, AO Yazaydin, ... ACS applied materials & interfaces 9 (42), 36783-36791, 2017 | 41 | 2017 |
| Excitation Spectra of Dibenzoborole Containing π-Electron Systems: Controlling the Electronic Spectra by Changing the pπ−π* Conjugation KS Thanthiriwatte, SR Gwaltney The Journal of Physical Chemistry A 110 (7), 2434-2439, 2006 | 32 | 2006 |
| Infrared Spectra of H2ThS and H2US in Noble Gas Matrixes: Enhanced H-An-S Covalent Bonding X Wang, L Andrews, KS Thanthiriwatte, DA Dixon Inorganic Chemistry 52 (18), 10275-10285, 2013 | 30 | 2013 |
| Infrared spectroscopic and theoretical studies of the OTiF 2, OZrF 2 and OHfF 2 molecules with terminal oxo ligands Y Gong, L Andrews, CW Bauschlicher, KS Thanthiriwatte, DA Dixon Dalton Transactions 41 (38), 11706-11715, 2012 | 29 | 2012 |
| Properties of cerium hydroxides from matrix infrared spectra and electronic structure calculations Z Fang, KS Thanthiriwatte, DA Dixon, L Andrews, X Wang Inorganic Chemistry 55 (4), 1702-1714, 2016 | 27 | 2016 |
| Structural and Energetic Properties of Closed Shell XFn (X = Cl, Br, and I; n = 1–7) and XOnFm (X = Cl, Br, and I; n = 1–3; m = 0–6) Molecules and Ions … KS Thanthiriwatte, M Vasiliu, DA Dixon, KO Christe Inorganic Chemistry 51 (20), 10966-10982, 2012 | 24 | 2012 |
| Thorium Fluorides ThF, ThF2, ThF3, ThF4, ThF3(F2), and ThF5– Characterized by Infrared Spectra in Solid Argon and Electronic Structure and Vibrational … L Andrews, KS Thanthiriwatte, X Wang, DA Dixon Inorganic Chemistry 52 (14), 8228-8233, 2013 | 23 | 2013 |
| Surface-catalyzed oxygen exchange during mineral carbonation in nanoscale water films QRS Miller, DA Dixon, SD Burton, ED Walter, DW Hoyt, AS McNeill, ... The Journal of Physical Chemistry C 123 (20), 12871-12885, 2019 | 22 | 2019 |
| Properties of ThFx from Infrared Spectra in Solid Argon and Neon with Supporting Electronic Structure and Thermochemical Calculations KS Thanthiriwatte, X Wang, L Andrews, DA Dixon, J Metzger, ... The Journal of Physical Chemistry A 118 (11), 2107-2119, 2014 | 20 | 2014 |
| Structures and Stabilities of (CaO)n Nanoclusters M Chen, KS Thanthiriwatte, DA Dixon The Journal of Physical Chemistry C 121 (41), 23025-23038, 2017 | 18 | 2017 |
| Structures, Vibrational Frequencies, and Stabilities of Halogen Cluster Anions and Cations, Xn+/–, n = 3, 4, and 5 KS Thanthiriwatte, JM Spruell, DA Dixon, KO Christe, HDB Jenkins Inorganic Chemistry 53 (15), 8136-8146, 2014 | 18 | 2014 |
| High-Level Ab Initio Predictions of the Energetics of mCO2·(H2O)n (n = 1–3, m = 1–12) Clusters KS Thanthiriwatte, JR Duke, VE Jackson, AR Felmy, DA Dixon The Journal of Physical Chemistry A 116 (39), 9718-9729, 2012 | 16 | 2012 |
| Properties of Lanthanide Hydroxide Molecules Produced in Reactions of Lanthanide Atoms with H2O2 and H2 + O2 Mixtures: Roles of the +I, +II, +III, and +IV … X Wang, L Andrews, Z Fang, KS Thanthiriwatte, M Chen, DA Dixon The Journal of Physical Chemistry A 121 (8), 1779-1796, 2017 | 14 | 2017 |
| Reaction of Laser-Ablated Uranium and Thorium Atoms with H2Se: A Rare Example of Selenium Multiple Bonding T Vent-Schmidt, L Andrews, KS Thanthiriwatte, DA Dixon, S Riedel Inorganic Chemistry 54 (20), 9761-9769, 2015 | 14 | 2015 |
| Infrared Spectroscopic and Theoretical Studies on the OMF2 and OMF (M = Cr, Mo, W) Molecules in Solid Argon R Wei, Q Li, Y Gong, L Andrews, Z Fang, KS Thanthiriwatte, M Vasiliu, ... The Journal of Physical Chemistry A 121 (40), 7603-7612, 2017 | 10 | 2017 |
| Thorium and Uranium Hydride Phosphorus and Arsenic Bearing Molecules with Single and Double Actinide-Pnictogen and Bridged Agostic Hydrogen Bonds L Andrews, HG Cho, KS Thanthiriwatte, DA Dixon Inorganic Chemistry 56 (5), 2949-2957, 2017 | 10 | 2017 |
David SherrillRegents' Professor, Chemistry and Computational Science, Georgia TechVerified email at gatech.edu
