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Lindsay Roy
Lindsay Roy
Savannah River National Laboratory
Zweryfikowany adres z srnl.doe.gov - Strona główna
Tytuł
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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
13562008
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
3222009
Magnetic coupling in dinuclear Gd complexes
LE Roy, T Hughbanks
Journal of the American Chemical Society 128 (2), 568-575, 2006
1592006
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
1322012
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
1111998
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
862013
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
812008
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
772008
Theoretical insights into covalency driven f element separations
LE Roy, NJ Bridges, LR Martin
Dalton transactions 42 (7), 2636-2642, 2013
662013
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
542006
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
391998
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
372001
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
371999
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
341998
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
301999
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
292020
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
291999
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
282000
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
281999
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
251999
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