| Revised basis sets for the LANL effective core potentials LE Roy, PJ Hay, RL Martin Journal of chemical theory and computation 4 (7), 1029-1031, 2008 | 1347 | 2008 |
| Calculation of one-electron redox potentials revisited. Is it possible to calculate accurate potentials with density functional methods? LE Roy, E Jakubikova, MG Guthrie, ER Batista The Journal of Physical Chemistry A 113 (24), 6745-6750, 2009 | 315 | 2009 |
| Magnetic coupling in dinuclear Gd complexes LE Roy, T Hughbanks Journal of the American Chemical Society 128 (2), 568-575, 2006 | 159 | 2006 |
| Effect of spin-orbit coupling on the actinide dioxides AnO2 (An= Th, Pa, U, Np, Pu, and Am): A screened hybrid density functional study XD Wen, RL Martin, LE Roy, GE Scuseria, SP Rudin, ER Batista, ... The Journal of chemical physics 137 (15), 2012 | 130 | 2012 |
| Descriptors for solutes from the solubility of solids: trans-stilbene as an example MH Abraham, CE Green, WE Acree, CE Green, WE Acree Jr, ... Journal of the Chemical Society, Perkin Transactions 2, 2677-2682, 1998 | 111 | 1998 |
| Optical band gap of NpO2 and PuO2 from optical absorbance of epitaxial films T Mark McCleskey, E Bauer, Q Jia, AK Burrell, BL Scott, SD Conradson, ... Journal of Applied Physics 113 (1), 2013 | 83 | 2013 |
| Theoretical studies on the redox potentials of Fe dinuclear complexes as models for hydrogenase LE Roy, ER Batista, PJ Hay Inorganic chemistry 47 (20), 9228-9237, 2008 | 81 | 2008 |
| Dispersion in the Mott insulator UO2: A comparison of photoemission spectroscopy and screened hybrid density functional theory LE Roy, T Durakiewicz, RL Martin, JE Peralta, GE Scuseria, CG Olson, ... Journal of computational chemistry 29 (13), 2288-2294, 2008 | 76 | 2008 |
| Theoretical insights into covalency driven f element separations LE Roy, NJ Bridges, LR Martin Dalton transactions 42 (7), 2636-2642, 2013 | 66 | 2013 |
| Ferromagnetic coupling in hexanuclear gadolinium clusters LE Sweet, LE Roy, F Meng, T Hughbanks Journal of the American Chemical Society 128 (31), 10193-10201, 2006 | 53 | 2006 |
| Solubility of thioxanthen-9-one in organic nonelectrolyte solvents. Comparison of observed versus predicted values based upon mobile order theory KA Fletcher, KS Coym, LE Roy, CE Hernández, MER McHale, ... Physics and Chemistry of Liquids 35 (4), 243-252, 1998 | 39 | 1998 |
| Experimental thermochemical study of the enthalpies of formation and sublimation of isonicotinamide, picolinamide, nicotinamide, isonicotinamideN-oxide, and nicotinamideN-oxide … MDMCR da Silva, JM Gonçalves, SCC Ferreira, LCM da Silva, ... The Journal of Chemical Thermodynamics 33 (10), 1263-1275, 2001 | 37 | 2001 |
| Solubility of anthracene in ternary (propanol+ heptane+ cyclohexane) and (butanol+ heptane+ cyclohexane) solvent mixtures T Deng, CE Hernández, LE Roy, WE Acree Jr The Journal of Chemical Thermodynamics 31 (2), 205-210, 1999 | 37 | 1999 |
| Solubility of pyrene in binary (alkane+ 2-butanol) solvent mixtures CE Hernández, KS Coym, LE Roy, JR Powell, WE Acree Jr The Journal of Chemical Thermodynamics 30 (1), 37-42, 1998 | 34 | 1998 |
| Solubility of 2-hydroxybenzoic acid in select organic solvents at 298.15 K KM De Fina, TL Sharp, LE Roy, WE Acree Journal of Chemical & Engineering Data 44 (6), 1262-1264, 1999 | 30 | 1999 |
| Solubility of Anthracene in Organic Nonelectrolyte Solvents. Comparison of Observed Versus Predicted Values Based Upon Mobile Order Theory LE Roy, CE HernÁndez, WE Acree Jr Polycyclic Aromatic Compounds 13 (1), 105-116, 1999 | 29 | 1999 |
| Heteronuclear chains of four metal atoms including one quadruply bonded dimetal unit. Dichromium and dimolybdenum compounds with appended copper (I) atoms FA Cotton, CA Murillo, LE Roy, HC Zhou Inorganic Chemistry 39 (8), 1743-1747, 2000 | 28 | 2000 |
| Solubility of phenanthrene in organic nonelectrolyte solvents. Comparison of observed versus predicted values based upon Mobile Order theory CE Hernández, KM De Fina, LE Roy, TL Sharp, WE Acree, Jr Canadian journal of chemistry 77 (9), 1465-1470, 1999 | 28 | 1999 |
| Solid-state reactive sintering of dense and highly conductive Ta-doped Li7La3Z2O12 using CuO as a sintering aid C Li, A Ishii, L Roy, D Hitchcock, Y Meng, K Brinkman Journal of Materials Science 55, 16470-16481, 2020 | 25 | 2020 |
| Thermodynamics of mobile order theory. Part 3. Comparison of experimental and predicted solubilities for fluoranthene and pyrene LE Roy, CE HernÁandez, WE Acree Jr Polycyclic Aromatic Compounds 13 (3), 205-219, 1999 | 25 | 1999 |
