☰

Lindsay E. Roy, Ph.D. - Publications

Affiliations: 
1999-2006 Chemistry Texas A & M University, College Station, TX, United States 
 2006-2009 Los Alamos National Laboratory, Los Alamos, NM, United States 
 2009- Savannah River National Laboratory 
Area:
Materials Chemistry
Website:
https://www.linkedin.com/in/lindsay-roy-6b92b4b
Tree Info Similar researchers PubMed Report error

12 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 DeVore Ii MA, Klug CA, Kriz MR, Roy LE, Wellons MS. Investigations of Uranyl Fluoride Sesquihydrate (UO2F2·1.57H2O): Combining 19F Solid-State MAS NMR Spectroscopy and GIPAW Chemical Shift Calculations. The Journal of Physical Chemistry. A. PMID 30047731 DOI: 10.1021/Acs.Jpca.8B04369  0.326
2012 Wen XD, Martin RL, Roy LE, Scuseria GE, Rudin SP, Batista ER, McCleskey TM, Scott BL, Bauer E, Joyce JJ, Durakiewicz T. Effect of spin-orbit coupling on the actinide dioxides AnO2 (An=Th, Pa, U, Np, Pu, and Am): a screened hybrid density functional study. The Journal of Chemical Physics. 137: 154707. PMID 23083184 DOI: 10.1063/1.4757615  0.391
2009 Roy LE, Jakubikova E, Guthrie MG, Batista ER. Calculation of one-electron redox potentials revisited. Is it possible to calculate accurate potentials with density functional methods? The Journal of Physical Chemistry. A. 113: 6745-50. PMID 19459608 DOI: 10.1021/Jp811388W  0.32
2008 Roy LE, Batista ER, Hay PJ. Theoretical studies on the redox potentials of Fe dinuclear complexes as models for hydrogenase. Inorganic Chemistry. 47: 9228-37. PMID 18811143 DOI: 10.1021/Ic800541W  0.313
2008 Roy LE, Durakiewicz T, Martin RL, Peralta JE, Scuseria GE, Olson CG, Joyce JJ, Guziewicz E. Dispersion in the Mott insulator UO2: A comparison of photoemission spectroscopy and screened hybrid density functional theory. Journal of Computational Chemistry. 29: 2288-94. PMID 18615406 DOI: 10.1002/Jcc.21036  0.354
2007 Roy LE, Hughbanks T. Tight binding prediction of the α-Gd2S3 magnetic structure Journal of Solid State Chemistry. 180: 818-823. DOI: 10.1016/J.Jssc.2006.11.035  0.673
2006 Roy LE, Hughbanks T. A tight-binding method for predicting magnetic ordering in Gd-containing solids: Application to GdB2C2. The Journal of Physical Chemistry. B. 110: 20290-6. PMID 17034209 DOI: 10.1021/Jp064124V  0.697
2006 Roy LE, Hughbanks T. Electronic transitions in [Re6S8X6](4-) (X = Cl, Br, I): results from time-dependent density functional theory and solid-state calculations. Inorganic Chemistry. 45: 8273-82. PMID 16999427 DOI: 10.1021/Ic061061M  0.619
2006 Sweet LE, Roy LE, Meng F, Hughbanks T. Ferromagnetic coupling in hexanuclear gadolinium clusters. Journal of the American Chemical Society. 128: 10193-201. PMID 16881649 DOI: 10.1021/Ja0617690  0.6
2006 Roy LE, Hughbanks T. Magnetic coupling in dinuclear Gd complexes. Journal of the American Chemical Society. 128: 568-75. PMID 16402844 DOI: 10.1021/Ja055035J  0.694
2003 Roy LE, Hughbanks T. Rules for Understanding and Designing Novel Molecule-Based Rare-Earth Magnetic Compounds Materials Research Society Symposium - Proceedings. 755: 25-30. DOI: 10.1557/Proc-755-Dd1.6  0.696
2003 Roy L, Hughbanks T. d-Electron mediated 4 f7-4 f7 exchange in Gd-rich compounds; spin density functional study of Gd2Cl3 Journal of Solid State Chemistry. 176: 294-305. DOI: 10.1016/S0022-4596(03)00192-0  0.691
Show low-probability matches.