| Year |
Citation |
Score |
| 2020 |
Smiles DE, Batista ER, Booth CH, Clark DL, Keith JM, Kozimor SA, Martin RL, Minasian SG, Shuh DK, Stieber SCE, Tyliszczak T. The duality of electron localization and covalency in lanthanide and actinide metallocenes. Chemical Science. 11: 2796-2809. PMID 34084340 DOI: 10.1039/c9sc06114b |
0.813 |
|
| 2020 |
Smiles DE, Batista ER, Booth CH, Clark DL, Keith JM, Kozimor SA, Martin RL, Minasian SG, Shuh DK, Stieber SCE, Tyliszczak T. The duality of electron localization and covalency in lanthanide and actinide metallocenes Chemical Science. 11: 2796-2809. DOI: 10.1039/C9Sc06114B |
0.797 |
|
| 2019 |
Martin RL, Ritchie JP. Coulomb and exchange interactions in C60n- Physical Review. B, Condensed Matter. 48: 4845-4849. PMID 10008974 DOI: 10.1103/Physrevb.48.4845 |
0.321 |
|
| 2018 |
Su J, Batista ER, Boland KS, Bone SE, Bradley JA, Cary SK, Clark DL, Conradson SD, Ditter AS, Kaltsoyannis N, Keith JM, Kerridge A, Kozimor SA, Löble MW, Martin RL, et al. Energy-Degeneracy-Driven Covalency in Actinide Bonding. Journal of the American Chemical Society. PMID 30540455 DOI: 10.1021/Jacs.8B09436 |
0.804 |
|
| 2017 |
Minasian SG, Batista ER, Booth CH, Clark DL, Keith JM, Kozimor SA, Lukens WW, Martin RL, Shuh DK, Stieber SCE, Tylisczcak T, Wen XD. Quantitative Evidence for Lanthanide-Oxygen Orbital Mixing in CeO2, PrO2, and TbO2. Journal of the American Chemical Society. 139: 18052-18064. PMID 29182343 DOI: 10.1021/Jacs.7B10361 |
0.823 |
|
| 2015 |
Löble MW, Keith JM, Altman AB, Stieber SC, Batista ER, Boland KS, Conradson SD, Clark DL, Lezama Pacheco J, Kozimor SA, Martin RL, Minasian SG, Olson AC, Scott BL, Shuh DK, et al. Covalency in lanthanides. An X-ray absorption spectroscopy and density functional theory study of LnCl6(x-) (x = 3, 2). Journal of the American Chemical Society. 137: 2506-23. PMID 25689484 DOI: 10.1021/Ja510067V |
0.811 |
|
| 2015 |
Wilson JJ, Ferrier M, Radchenko V, Maassen JR, Engle JW, Batista ER, Martin RL, Nortier FM, Fassbender ME, John KD, Birnbaum ER. Evaluation of nitrogen-rich macrocyclic ligands for the chelation of therapeutic bismuth radioisotopes. Nuclear Medicine and Biology. 42: 428-38. PMID 25684650 DOI: 10.1016/J.Nucmedbio.2014.12.007 |
0.621 |
|
| 2015 |
Wilson JJ, Birnbaum ER, Batista ER, Martin RL, John KD. Synthesis and characterization of nitrogen-rich macrocyclic ligands and an investigation of their coordination chemistry with lanthanum(III). Inorganic Chemistry. 54: 97-109. PMID 25526533 DOI: 10.1021/Ic501843C |
0.672 |
|
| 2015 |
Pierpont AW, Batista ER, Martin RL, Chen W, Kim JK, Hoyt CB, Gordon JC, Michalczyk R, Silks LAP, Wu R. Origins of the regioselectivity in the lutetium triflate catalyzed ketalization of acetone with glycerol: A DFT study Acs Catalysis. 5: 1013-1019. DOI: 10.1021/Cs5010932 |
0.651 |
|
| 2014 |
Olson AC, Keith JM, Batista ER, Boland KS, Daly SR, Kozimor SA, MacInnes MM, Martin RL, Scott BL. Using solution- and solid-state S K-edge X-ray absorption spectroscopy with density functional theory to evaluate M-S bonding for MS4(2-) (M = Cr, Mo, W) dianions. Dalton Transactions (Cambridge, England : 2003). 43: 17283-95. PMID 25311904 DOI: 10.1039/C4Dt02302A |
0.801 |
|
| 2014 |
Ellis JK, Wen XD, Martin RL. Investigation of thorium salts as candidate materials for direct observation of the (229m)Th nuclear transition. Inorganic Chemistry. 53: 6769-74. PMID 24937606 DOI: 10.1021/Ic500570U |
0.517 |
|
| 2014 |
Dub PA, Henson NJ, Martin RL, Gordon JC. Unravelling the mechanism of the asymmetric hydrogenation of acetophenone by [RuX2(diphosphine)(1,2-diamine)] catalysts. Journal of the American Chemical Society. 136: 3505-21. PMID 24524727 DOI: 10.1021/Ja411374J |
0.36 |
|
| 2014 |
Minasian SG, Keith JM, Batista ER, Boland KS, Clark DL, Kozimor SA, Martin RL, Shuh DK, Tyliszczak T. New evidence for 5f covalency in actinocenes determined from carbon K-edge XAS and electronic structure theory Chemical Science. 5: 351-359. DOI: 10.1039/C3Sc52030G |
0.803 |
|
| 2014 |
Wen XD, Löble MW, Batista ER, Bauer E, Boland KS, Burrell AK, Conradson SD, Daly SR, Kozimor SA, Minasian SG, Martin RL, McCleskey TM, Scott BL, Shuh DK, Tyliszczak T. Electronic structure and O K-edge XAS spectroscopy of U3O 8 Journal of Electron Spectroscopy and Related Phenomena. 194: 81-87. DOI: 10.1016/J.Elspec.2014.03.005 |
0.721 |
|
| 2014 |
Kozimor SA, Olson AC, Daly SR, Batista ER, Bauer E, Boland KS, Gaunt A, Keith JM, Martin RL, Scott BL. Evaluation of orbital mixing in soft-donor dithiophosphinate extradants using sulfur K-edge X-ray absorption spectroscopy and time-dependent density functional theory Plutonium Futures: the Science 2014. 48-50. |
0.788 |
|
| 2013 |
Nayyar IH, Batista ER, Tretiak S, Saxena A, Smith DL, Martin RL. Role of Geometric Distortion and Polarization in Localizing Electronic Excitations in Conjugated Polymers. Journal of Chemical Theory and Computation. 9: 1144-54. PMID 26588757 DOI: 10.1021/Ct300837D |
0.759 |
|
| 2013 |
Kilina S, Dandu N, Batista ER, Saxena A, Martin RL, Smith DL, Tretiak S. Effect of Packing on Formation of Deep Carrier Traps in Amorphous Conjugated Polymers. The Journal of Physical Chemistry Letters. 4: 1453-9. PMID 26282298 DOI: 10.1021/Jz4003197 |
0.732 |
|
| 2013 |
Minasian SG, Keith JM, Batista ER, Boland KS, Kozimor SA, Martin RL, Shuh DK, Tyliszczak T, Vernon LJ. Carbon K-edge X-ray absorption spectroscopy and time-dependent density functional theory examination of metal-carbon bonding in metallocene dichlorides. Journal of the American Chemical Society. 135: 14731-40. PMID 24047199 DOI: 10.1021/Ja405844J |
0.8 |
|
| 2013 |
Minasian SG, Keith JM, Batista ER, Boland KS, Bradley JA, Daly SR, Kozimor SA, Lukens WW, Martin RL, Nordlund D, Seidler GT, Shuh DK, Sokaras D, Tyliszczak T, Wagner GL, et al. Covalency in metal-oxygen multiple bonds evaluated using oxygen K-edge spectroscopy and electronic structure theory. Journal of the American Chemical Society. 135: 1864-71. PMID 23351138 DOI: 10.1021/Ja310223B |
0.806 |
|
| 2013 |
Spencer LP, Yang P, Minasian SG, Jilek RE, Batista ER, Boland KS, Boncella JM, Conradson SD, Clark DL, Hayton TW, Kozimor SA, Martin RL, MacInnes MM, Olson AC, Scott BL, et al. Tetrahalide complexes of the [U(NR)2]2+ ion: synthesis, theory, and chlorine K-edge X-ray absorption spectroscopy. Journal of the American Chemical Society. 135: 2279-90. PMID 23320417 DOI: 10.1021/Ja310575J |
0.745 |
|
| 2013 |
Wen XD, Martin RL, Henderson TM, Scuseria GE. Density functional theory studies of the electronic structure of solid state actinide oxides. Chemical Reviews. 113: 1063-96. PMID 23252457 DOI: 10.1021/Cr300374Y |
0.544 |
|
| 2013 |
Wen XD, Martin RL, Scuseria GE, Rudin SP, Batista ER, Burrell AK. Screened hybrid and DFT + U studies of the structural, electronic, and optical properties of U3O8. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 25: 025501. PMID 23178751 DOI: 10.1088/0953-8984/25/2/025501 |
0.722 |
|
| 2013 |
Mark McCleskey T, Bauer E, Jia Q, Burrell AK, Scott BL, Conradson SD, Mueller A, Roy L, Wen X, Scuseria GE, Martin RL. Optical band gap of NpO2 and PuO2 from optical absorbance of epitaxial films Journal of Applied Physics. 113. DOI: 10.1063/1.4772595 |
0.489 |
|
| 2013 |
Waidmann CR, Pierpont AW, Batista ER, Gordon JC, Martin RL, Pete Silks LA, West RM, Wu R. Functional group dependence of the acid catalyzed ring opening of biomass derived furan rings: An experimental and theoretical study Catalysis Science and Technology. 3: 106-115. DOI: 10.1039/C2Cy20395B |
0.639 |
|
| 2013 |
Kilina S, Dandu N, Batista ER, Saxena A, Martin RL, Smith DL, Tretiak S. Effect of packing on formation of deep carrier traps in amorphous conjugated polymers Journal of Physical Chemistry Letters. 4: 1453-1459. DOI: 10.1021/jz4003197 |
0.677 |
|
| 2013 |
Wen XD, Martin RL, Scuseria GE, Rudin SP, Batista ER. A screened hybrid DFT study of actinide oxides, nitrides, and carbides Journal of Physical Chemistry C. 117: 13122-13128. DOI: 10.1021/Jp403141T |
0.754 |
|
| 2013 |
Nayyar IH, Batista ER, Tretiak S, Saxena A, Smith DL, Martin RL. Role of geometric distortion and polarization in localizing electronic excitations in conjugated polymers Journal of Chemical Theory and Computation. 9: 1144-1154. DOI: 10.1021/ct300837d |
0.71 |
|
| 2013 |
Nayyar IH, Batista ER, Tretiak S, Saxena A, Smith DL, Martin RL. Effect of trans- and cis-isomeric defects on the localization of the charged excitations in π-conjugated organic polymers Journal of Polymer Science, Part B: Polymer Physics. 51: 935-942. DOI: 10.1002/Polb.23291 |
0.731 |
|
| 2012 |
Wen XD, Rudin SP, Batista ER, Clark DL, Scuseria GE, Martin RL. Rotational rehybridization and the high temperature phase of UC2. Inorganic Chemistry. 51: 12650-9. PMID 23148624 DOI: 10.1021/Ic301133M |
0.727 |
|
| 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 |
0.743 |
|
| 2012 |
Daly SR, Keith JM, Batista ER, Boland KS, Clark DL, Kozimor SA, Martin RL. Sulfur K-edge X-ray absorption spectroscopy and time-dependent density functional theory of dithiophosphinate extractants: minor actinide selectivity and electronic structure correlations. Journal of the American Chemical Society. 134: 14408-22. PMID 22920323 DOI: 10.1021/Ja303999Q |
0.8 |
|
| 2012 |
Wen XD, Yang T, Hoffmann R, Ashcroft NW, Martin RL, Rudin SP, Zhu JX. Graphane nanotubes. Acs Nano. 6: 7142-50. PMID 22747198 DOI: 10.1021/nn302204b |
0.374 |
|
| 2012 |
Daly SR, Keith JM, Batista ER, Boland KS, Kozimor SA, Martin RL, Scott BL. Probing Ni[S2PR2]2 electronic structure to generate insight relevant to minor actinide extraction chemistry. Inorganic Chemistry. 51: 7551-60. PMID 22746670 DOI: 10.1021/Ic3001587 |
0.8 |
|
| 2012 |
Minasian SG, Keith JM, Batista ER, Boland KS, Clark DL, Conradson SD, Kozimor SA, Martin RL, Schwarz DE, Shuh DK, Wagner GL, Wilkerson MP, Wolfsberg LE, Yang P. Determining relative f and d orbital contributions to M-Cl covalency in MCl6(2-) (M = Ti, Zr, Hf, U) and UOCl5(-) using Cl K-edge X-ray absorption spectroscopy and time-dependent density functional theory. Journal of the American Chemical Society. 134: 5586-97. PMID 22404133 DOI: 10.1021/Ja2105015 |
0.819 |
|
| 2011 |
Jakubikova E, Campbell IH, Martin RL. Effects of peripheral and axial substitutions on electronic transitions of tin naphthalocyanines. The Journal of Physical Chemistry. A. 115: 9265-72. PMID 21800923 DOI: 10.1021/Jp205705E |
0.782 |
|
| 2011 |
Diaconu CV, Batista ER, Martin RL, Smith DL, Crone BK, Crooker SA, Smith'S DL. Circularly polarized photoluminescence from platinum porphyrins in organic hosts: Magnetic field and temperature dependence Journal of Applied Physics. 109. DOI: 10.1063/1.3569584 |
0.66 |
|
| 2011 |
Nayyar IH, Batista ER, Tretiak S, Saxena A, Smith DL, Martin RL. Localization of electronic excitations in conjugated polymers studied by DFT Journal of Physical Chemistry Letters. 2: 566-571. DOI: 10.1021/Jz101740W |
0.757 |
|
| 2011 |
Waidmann CR, Batista ER, Gordon JC, Martin RL, Pierpont AW, Silks LA, Wu R. Furan ring-opening of biomass-derived substrates Acs National Meeting Book of Abstracts. |
0.602 |
|
| 2011 |
Keith JM, Batista ER, Martin RL, Wu R, Silks LP, Gordon JC. Catalyzed conversion of non-food biomass to fuels: Probing the mechanism of the initial C - C bond forming step Acs National Meeting Book of Abstracts. |
0.747 |
|
| 2011 |
Pierpont AW, Batista ER, Chen W, Gordon JC, Martin RL, Michalczyk R, Silks LA. DFT studies of stereoselectivity in lanthanide-catalyzed acetal and ketal formation from biorenewable polyols Acs National Meeting Book of Abstracts. |
0.642 |
|
| 2011 |
Pierpont AW, Martin RL, Batista ER, Kiplinger J, Travia NE. DFT study of Cp2Th and Cp2U catalysts for hydrodenitrogenation (HDN), hydrodesulfurization (HDS) and hydrodeoxygenation(HDO) Acs National Meeting Book of Abstracts. |
0.605 |
|
| 2010 |
Walensky JR, Martin RL, Ziller JW, Evans WJ. Importance of energy level matching for bonding in Th(3+)-Am(3+) actinide metallocene amidinates, (C(5)Me(5))(2)[(i)PrNC(Me)N(i)Pr]An. Inorganic Chemistry. 49: 10007-12. PMID 20883019 DOI: 10.1021/Ic1013285 |
0.382 |
|
| 2010 |
Bradley JA, Yang P, Batista ER, Boland KS, Burns CJ, Clark DL, Conradson SD, Kozimor SA, Martin RL, Seidler GT, Scott BL, Shuh DK, Tyliszczak T, Wilkerson MP, Wolfsberg LE. Experimental and theoretical comparison of the O K-edge nonresonant inelastic X-ray scattering and X-ray absorption spectra of NaReO4. Journal of the American Chemical Society. 132: 13914-21. PMID 20839792 DOI: 10.1021/Ja1040978 |
0.745 |
|
| 2010 |
Roy LE, Ortiz-Acosta D, Batista ER, Scott BL, Blair MW, May I, Del Sesto RE, Martin RL. Luminescence in Ce(IV) polyoxometalate [Ce(W5O18)2]8-: a combined experimental and theoretical study. Chemical Communications (Cambridge, England). 46: 1848-50. PMID 20198229 DOI: 10.1039/B926660G |
0.669 |
|
| 2010 |
Jakubikova E, Martin RL, Batista ER. Systematic study of modifications to ruthenium(II) polypyridine dyads for electron injection enhancement. Inorganic Chemistry. 49: 2975-82. PMID 20141117 DOI: 10.1021/Ic902504Y |
0.8 |
|
| 2010 |
Da Re RE, Eglin JL, Carlson CN, John KD, Morris DE, Woodruff WH, Bailey JA, Batista E, Martin RL, Cotton FA, Hillard EA, Murillo CA, Sattelberger AP, Donohoe RJ. Nature of bonding in complexes containing "supershort" metal-metal bonds. raman and theoretical study of M2(dmp)4 [M = Cr (natural abundance Cr, 50Cr, and 54Cr) and Mo; dmp = 2,6-dimethoxyphenyl]. Journal of the American Chemical Society. 132: 1839-47. PMID 20092271 DOI: 10.1021/Ja9055504 |
0.685 |
|
| 2010 |
Joyce JJ, Durakiewicz T, Graham KS, Bauer ED, Moore DP, Mitchell JN, Kennison JA, McCleskey TM, Jia Q, Burrell AK, Bauer E, Martin RL, Roy LE, Scuseria GE. 5f electronic structure and fermiology of Pu materials Materials Research Society Symposium Proceedings. 1264: 93-98. DOI: 10.1557/Proc-1264-Z09-04 |
0.313 |
|
| 2010 |
Jakubikova E, Martin RL. Computational study of naphthalocyanine chromophores for infrared solar cells Acs National Meeting Book of Abstracts. |
0.709 |
|
| 2010 |
Wilkerson MP, Batista ER, Berg JM, Boland KS, Clark DL, Conradson SD, Kozimor SA, Martin RL, Scott BL, Wagner GL, Yang P. Near-infrared photoluminescence and ligand K-edge X-ray absorption spectroscopies of AnO2Cl4 2- (An: U, Np, Pu) Plutonium Futures - the Science 2010. 72-73. |
0.66 |
|
| 2010 |
Clarke DL, Batista ER, Boland KS, Bradley JA, Conradson SD, Kaltsoyannis N, Kozimor SA, Martin RL, Seidler GT, Tassell MJ, Wilkerson MP, Yang P. Unexpected covalency from actinide 5f orbital interactions (An = Th, U, Np, Pu) determined from chlorine K-edge X-ray absorption spectroscopy and electronic structure theory Plutonium Futures - the Science 2010. 115-116. |
0.696 |
|
| 2010 |
Kozimor SA, Yang P, Batista ER, Boland KS, Burns CJ, Clark DL, Conradson SD, Martin RL, Wilkerson MP, Wolfsberg LE. Covalency trends for d- and f-element metallocene dichlorides determined from chlorine K-edge x-ray absorption spectroscopy and time dependent-density functional theory Plutonium Futures - the Science 2010. 117-118. |
0.685 |
|
| 2009 |
Jakubikova E, Chen W, Dattelbaum DM, Rein FN, Rocha RC, Martin RL, Batista ER. Electronic structure and spectroscopy of [Ru(tpy)(2)](2+), [Ru(tpy)(bpy)(H(2)O)](2+), and [Ru(tpy)(bpy)(Cl)](+). Inorganic Chemistry. 48: 10720-5. PMID 19842666 DOI: 10.1021/Ic901477M |
0.812 |
|
| 2009 |
Kozimor SA, Yang P, Batista ER, Boland KS, Burns CJ, Clark DL, Conradson SD, Martin RL, Wilkerson MP, Wolfsberg LE. Trends in covalency for d- and f-element metallocene dichlorides identified using chlorine K-edge X-ray absorption spectroscopy and time-dependent density functional theory. Journal of the American Chemical Society. 131: 12125-36. PMID 19705913 DOI: 10.1021/Ja9015759 |
0.763 |
|
| 2009 |
Jakubikova E, Snoeberger RC, Batista VS, Martin RL, Batista ER. Interfacial electron transfer in TiO(2) surfaces sensitized with Ru(II)-polypyridine complexes. The Journal of Physical Chemistry. A. 113: 12532-40. PMID 19594155 DOI: 10.1021/Jp903966N |
0.797 |
|
| 2009 |
Thorsmølle VK, Averitt RD, Demsar J, Smith DL, Tretiak S, Martin RL, Chi X, Crone BK, Ramirez AP, Taylor AJ. Morphology effectively controls singlet-triplet exciton relaxation and charge transport in organic semiconductors. Physical Review Letters. 102: 017401. PMID 19257238 DOI: 10.1103/Physrevlett.102.017401 |
0.415 |
|
| 2009 |
Hanson DE, Martin RL. How far can a rubber molecule stretch before breaking? Ab initio study of tensile elasticity and failure in single-molecule polyisoprene and polybutadiene. The Journal of Chemical Physics. 130: 064903. PMID 19222294 DOI: 10.1063/1.3071196 |
0.317 |
|
| 2009 |
Thorsmølle VK, Averitt RD, Demsar J, Smith DL, Tretiak S, Martin RL, Chi X, Crone BK, Ramirez AP, Taylor AJ. Morphology effectively controls singlet-triplet exciton relaxation and charge transport in organic semiconductors Physical Review Letters. 102. DOI: 10.1103/PhysRevLett.102.017401 |
0.385 |
|
| 2009 |
Thorsmølle VK, Averitt RD, Demsar J, Smith DL, Tretiak S, Martin RL, Chi X, Crone BK, Ramirez AP, Taylor AJ. Photoexcited carrier relaxation dynamics in pentacene probed by ultrafast optical spectroscopy: Influence of morphology on relaxation processes Physica B: Condensed Matter. 404: 3127-3130. DOI: 10.1016/J.Physb.2009.07.063 |
0.436 |
|
| 2008 |
Roy LE, Hay PJ, Martin RL. Revised Basis Sets for the LANL Effective Core Potentials. Journal of Chemical Theory and Computation. 4: 1029-31. PMID 26636355 DOI: 10.1021/Ct8000409 |
0.417 |
|
| 2008 |
Kilina S, Batista ER, Yang P, Tretiak S, Saxena A, Martin RL, Smith DL. Electronic structure of self-assembled amorphous polyfluorenes. Acs Nano. 2: 1381-8. PMID 19206305 DOI: 10.1021/Nn800204M |
0.779 |
|
| 2008 |
Kozimor SA, Yang P, Batista ER, Boland KS, Burns CJ, Christensen CN, Clark DL, Conradson SD, Hay PJ, Lezama JS, Martin RL, Schwarz DE, Wilkerson MP, Wolfsberg LE. Covalency trends in group IV metallocene dichlorides. chlorine K-edge X-ray absorption spectroscopy and time dependent-density functional theory. Inorganic Chemistry. 47: 5365-71. PMID 18470982 DOI: 10.1021/Ic8004932 |
0.775 |
|
| 2008 |
Shamov GA, Schreckenbach G, Martin RL, Hay PJ. Crown ether inclusion complexes of the early actinide elements, [AnO2(18-crown-6)]n+, An = U, Np, Pu and n = 1, 2: a relativistic density functional study. Inorganic Chemistry. 47: 1465-75. PMID 18225857 DOI: 10.1021/Ic7015403 |
0.535 |
|
| 2008 |
Ping Y, Warnke I, Martin RL, Hay PJ. Theoretical studies of the sp2 versus sp3 C-H bond activation chemistry of 2-picoline by (C5Me5) 2An(CH3)2 complexes (An = Th, U) Organometallics. 27: 1384-1392. DOI: 10.1021/Om700927N |
0.471 |
|
| 2007 |
Schelter EJ, Yang P, Scott BL, Thompson JD, Martin RL, Hay PJ, Morris DE, Kiplinger JL. Systematic studies of early actinide complexes: uranium(IV) fluoroketimides. Inorganic Chemistry. 46: 7477-88. PMID 17691767 DOI: 10.1021/Ic700455B |
0.584 |
|
| 2007 |
Batista ER, Martin RL. Electron localization in the ground state of the ruthenium blue dimer. Journal of the American Chemical Society. 129: 7224-5. PMID 17516645 DOI: 10.1021/Ja0712773 |
0.715 |
|
| 2007 |
Carlson CN, Scott BL, Martin RL, Thompson JD, Morris DE, John KD. Control of electronic and magnetic coupling via bridging ligand geometry in a bimetallic ytterbocene complex. Inorganic Chemistry. 46: 5013-22. PMID 17497772 DOI: 10.1021/Ic0702973 |
0.404 |
|
| 2007 |
Schelter EJ, Yang P, Scott BL, Re RE, Jantunen KC, Martin RL, Hay PJ, Morris DE, Kiplinger JL. Systematic studies of early actinide complexes: thorium(IV) fluoroketimides. Journal of the American Chemical Society. 129: 5139-52. PMID 17394316 DOI: 10.1021/Ja0686458 |
0.585 |
|
| 2007 |
Tretiak S, Kilina S, Piryatinski A, Saxena A, Martin RL, Bishop AR. Excitons and Peierls distortion in conjugated carbon nanotubes. Nano Letters. 7: 86-92. PMID 17212445 DOI: 10.1021/Nl0622000 |
0.476 |
|
| 2007 |
Yang P, Batista ER, Tretiak S, Saxena A, Martin RL, Smith DL. Effect of intramolecular disorder and intermolecular electronic interactions on the electronic structure of poly-p-phenylene vinylene Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.241201 |
0.763 |
|
| 2007 |
Carlson CN, Kuehl CJ, Ogallo L, Shultz DA, Thompson JD, Kirk ML, Martin RL, John KD, Morris DE. Influence of ligand geometry in bimetallic ytterbocene complexes of bridging Bis(bipyridyl) ligands Organometallics. 26: 4234-4242. DOI: 10.1021/Om061157O |
0.427 |
|
| 2007 |
Manzoni C, Gambetta A, Cerullo G, Lanzani G, Menna E, Meneghetti M, Tretiak S, Piryatinski A, Saxena A, Martin RL, Bishop AR. Real time observation of non-linear coherent phonon dynamics in semiconducting single wall carbon nanotubes Springer Series in Chemical Physics. 88: 695-697. DOI: 10.1007/978-3-540-68781-8-223 |
0.371 |
|
| 2006 |
Hay PJ, Martin RL, Uddin J, Scuseria GE. Theoretical study of CeO2 and Ce2O3 using a screened hybrid density functional. The Journal of Chemical Physics. 125: 34712. PMID 16863378 DOI: 10.1063/1.2206184 |
0.532 |
|
| 2006 |
Batista ER, Heyd J, Hennig RG, Uberuaga BP, Martin RL, Scuseria GE, Umrigar CJ, Wilkins JW. Comparison of screened hybrid density functional theory to diffusion Monte Carlo in calculations of total energies of silicon phases and defects Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.121102 |
0.669 |
|
| 2006 |
Gambetta A, Manzoni C, Menna E, Meneghetti M, Cerullo G, Lanzani G, Tretiak S, Piryatinski A, Saxena A, Martin RL, Bishop AR. Real-time observation of nonlinear coherent phonon dynamics in single-walled carbon nanotubes Nature Physics. 2: 515-520. DOI: 10.1038/Nphys345 |
0.423 |
|
| 2005 |
Peralta JE, Batista ER, Scuseria GE, Martin RL. All-Electron Hybrid Density Functional Calculations on UFn and UCln (n = 1-6). Journal of Chemical Theory and Computation. 1: 612-6. PMID 26641682 DOI: 10.1021/Ct050047G |
0.702 |
|
| 2005 |
Clark AE, Martin RL, Hay PJ, Green JC, Jantunen KC, Kiplinger JL. Electronic structure, excited states, and photoelectron spectra of uranium, thorium, and zirconium bis(Ketimido) complexes (C5R5)2M[-NCPh2]2 (M = Th, U, Zr; R = H, CH3). The Journal of Physical Chemistry. A. 109: 5481-91. PMID 16839076 DOI: 10.1021/Jp050339D |
0.75 |
|
| 2005 |
Hratchian HP, Sonnenberg JL, Hay PJ, Martin RL, Bursten BE, Schlegel HB. Theoretical investigation of uranyl dihydroxide: oxo ligand exchange, water catalysis, and vibrational spectra. The Journal of Physical Chemistry. A. 109: 8579-86. PMID 16834257 DOI: 10.1021/Jp052616M |
0.806 |
|
| 2005 |
Batista ER, Martin RL. On the excited states involved in the luminescent probe [Ru(bpy)2dppz]2+. The Journal of Physical Chemistry. A. 109: 3128-33. PMID 16833639 DOI: 10.1021/Jp050673+ |
0.697 |
|
| 2005 |
Batista ER, Martin RL. Exciton localization in a Pt-acetylide complex. The Journal of Physical Chemistry. A. 109: 9856-9. PMID 16833300 DOI: 10.1021/Jp053139A |
0.72 |
|
| 2005 |
Veauthier JM, Schelter EJ, Kuehl CJ, Clark AE, Scott BL, Morris DE, Martin RL, Thompson JD, Kiplinger JL, John KD. Ligand substituent effect observed for ytterbocene 4'-cyano-2,2':6',2' '-terpyridine. Inorganic Chemistry. 44: 5911-20. PMID 16060647 DOI: 10.1021/Ic050148P |
0.698 |
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| 2005 |
Sonnenberg JL, Hay PJ, Martin RL, Bursten BE. Theoretical investigations of uranyl-ligand bonding: four- and five-coordinate uranyl cyanide, isocyanide, carbonyl, and hydroxide complexes. Inorganic Chemistry. 44: 2255-62. PMID 15792460 DOI: 10.1021/ic048567u |
0.791 |
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| 2005 |
Peralta JE, Batista ER, Scuseria GE, Martin RL. All-electron hybrid density functional calculations on UFn and UCln (n = 1-6) Journal of Chemical Theory and Computation. 1: 612-616. DOI: 10.1021/ct050047g |
0.682 |
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| 2004 |
Batista ER, Martin RL, Hay PJ. Density functional investigations of the properties and thermochemistry of UFn and UCln (n=1,...,6). The Journal of Chemical Physics. 121: 11104-11. PMID 15634063 DOI: 10.1063/1.1811607 |
0.747 |
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| 2004 |
Krumper JR, Martin RL, Hay PJ, Yung CM, Veltheer J, Bergman RG. Synthesis and reactivity of the hydrido- and alkylrhenium methylidene complexes Cp*(PMe3)2(R)Re=CH2 (R = H, CH3). Journal of the American Chemical Society. 126: 14804-15. PMID 15535706 DOI: 10.1021/Ja0468877 |
0.453 |
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| 2004 |
Plieger PG, John KD, Keizer TS, McCleskey TM, Burrell AK, Martin RL. Predicting 9Be nuclear magnetic resonance chemical shielding tensors utilizing density functional theory. Journal of the American Chemical Society. 126: 14651-8. PMID 15521785 DOI: 10.1021/Ja046712X |
0.338 |
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| 2004 |
Clark AE, Sonnenberg JL, Hay PJ, Martin RL. Density and wave function analysis of actinide complexes: what can fuzzy atom, atoms-in-molecules, Mulliken, Lowdin, and natural population analysis tell us? The Journal of Chemical Physics. 121: 2563-70. PMID 15281854 DOI: 10.1063/1.1766292 |
0.795 |
|
| 2004 |
Batista ER, Martin RL, Hay PJ, Peralta JE, Scuseria GE. Density functional investigations of the properties and thermochemistry of UF6 and UF5 using valence-electron and all-electron approaches. The Journal of Chemical Physics. 121: 2144-50. PMID 15260768 DOI: 10.1063/1.1768518 |
0.743 |
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| 2004 |
Dattelbaum DM, Omberg KM, Hay PJ, Gebhart NL, Martin RL, Schoonover JR, Meyer TJ. Defining Electronic Excited States Using Time-Resolved Infrared Spectroscopy and Density Functional Theory Calculations Journal of Physical Chemistry A. 108: 3527-3536. DOI: 10.1021/Jp037096E |
0.492 |
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| 2004 |
Dattelbaum DM, Martin RL, Schoonover JR, Meyer TJ. Molecular and Electronic Structure in the Metal-to-Ligand Charge Transfer Excited States of fac-[Re(4,4′-X 2bpy)(CO) 3(4-Etpy)] +* + (X = CH 3, H, Co 2Et). Application of Density Functional Theory and Time-Resolved Infrared Spectroscopy Journal of Physical Chemistry A. 108: 3518-3526. DOI: 10.1021/Jp037095M |
0.353 |
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| 2003 |
Tretiak S, Saxena A, Martin RL, Bishop AR. Photoexcited breathers in conjugated polyenes: an excited-state molecular dynamics study. Proceedings of the National Academy of Sciences of the United States of America. 100: 2185-90. PMID 12594339 DOI: 10.1073/Pnas.0530132100 |
0.569 |
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| 2002 |
Dattelbaum DM, Omberg KM, Schoonover JR, Martin RL, Meyer TJ. Application of time-resolved infrared spectroscopy to electronic structure in metal-to-ligand charge-transfer excited states. Inorganic Chemistry. 41: 6071-9. PMID 12425635 DOI: 10.1021/Ic020400I |
0.304 |
|
| 2002 |
Tretiak S, Saxena A, Martin RL, Bishop AR. Conformational dynamics of photoexcited conjugated molecules. Physical Review Letters. 89: 097402. PMID 12190437 DOI: 10.1103/Physrevlett.89.097402 |
0.539 |
|
| 2002 |
Tretiak S, Saxena A, Martin RL, Bishop AR. Geometry relaxation of photoexcited states in conjugated molecules Phase Transitions. 75: 925-932. DOI: 10.1080/01411590290033831 |
0.558 |
|
| 2002 |
John KD, Michalczyk R, Hernandez G, Green JC, Martin RL, Baker RT, Sattelberger AP. The remarkable structure and dynamics of tris(allyl)rhodium and -iridium as determined by theory and experiment Organometallics. 21: 5757-5766. DOI: 10.1021/Om020632P |
0.413 |
|
| 2001 |
Tretiak S, Saxena A, Martin RL, Bishop AR. Collective electronic oscillator/semiempirical calculations of static nonlinear polarizabilities in conjugated molecules Journal of Chemical Physics. 115: 699-707. DOI: 10.1063/1.1377035 |
0.532 |
|
| 2000 |
McMahon BH, Stojković BP, Hay PJ, Martin RL, Garcı́a AE. Microscopic model of carbon monoxide binding to myoglobin The Journal of Chemical Physics. 113: 6831-6850. DOI: 10.1063/1.1309524 |
0.443 |
|
| 1999 |
Martin RL. Hydrogen exchange between hydride and methyl ligands in [Cp*Os(dmpm)(CH3)H+] [7] Journal of the American Chemical Society. 121: 9459-9460. DOI: 10.1021/Ja990924Q |
0.339 |
|
| 1999 |
Schreckenbach G, Hay PJ, Martin RL. Density functional calculations on actinide compounds: Survey of recent progress and application to [UO2X4]2? (X=F, Cl, OH) and AnF6 (An=U, Np, Pu) Journal of Computational Chemistry. 20: 70-90. DOI: 10.1002/(Sici)1096-987X(19990115)20:1<70::Aid-Jcc9>3.0.Co;2-F |
0.443 |
|
| 1998 |
Schreckenbach G, Hay PJ, Martin RL. Theoretical Study of Stable Trans and Cis Isomers in [UO(2)(OH)(4)](2-) Using Relativistic Density Functional Theory. Inorganic Chemistry. 37: 4442-4451. PMID 11670581 DOI: 10.1021/Ic980057A |
0.464 |
|
| 1998 |
Kress JD, Saxena A, Bishop AR, Martin RL. Enhancement of optical nonlinearity due to breathers in finite polyenes Physical Review B. 58: 6161-6165. DOI: 10.1103/Physrevb.58.6161 |
0.301 |
|
| 1998 |
Hay PJ, Martin RL. Theoretical studies of the structures and vibrational frequencies of actinide compounds using relativistic effective core potentials with Hartree–Fock and density functional methods: UF6, NpF6, and PuF6 The Journal of Chemical Physics. 109: 3875-3881. DOI: 10.1063/1.476988 |
0.515 |
|
| 1995 |
Russo TV, Martin RL, Hay PJ, Rappé AK. Vibrational frequencies of transition metal chloride and oxo compounds using effective core potential analytic second derivatives The Journal of Chemical Physics. 102: 9315-9321. DOI: 10.1063/1.468798 |
0.641 |
|
| 1995 |
Russo TV, Martin RL, Hay PJ. Effective Core Potentials for DFT Calculations The Journal of Physical Chemistry. 99: 17085-17087. DOI: 10.1021/J100047A007 |
0.474 |
|
| 1994 |
Russo TV, Martin RL, Hay PJ. Density functional calculations on first‐row transition metals The Journal of Chemical Physics. 101: 7729-7737. DOI: 10.1063/1.468265 |
0.429 |
|
| 1993 |
Martin RL. Cluster studies of La2CuO4: A mapping onto the Pariser–Parr–Pople (PPP) model Journal of Chemical Physics. 98: 8691-8697. DOI: 10.1063/1.464476 |
0.321 |
|
| 1993 |
Martin RL, Hay PJ. Cluster studies of La2CuO4: CuO6 The Journal of Chemical Physics. 98: 8680-8690. DOI: 10.1063/1.464475 |
0.451 |
|
| 1992 |
Ortiz JV, Hay PJ, Martin RL. Role of d and f orbitals in the geometries of low-valent actinide compounds. Ab initio studies of U(CH3)3, Np(CH3)3, and Pu(CH3)3 Journal of the American Chemical Society. 114: 2736-2737. DOI: 10.1021/ja00033a068 |
0.372 |
|
| 1987 |
Martin RL. AgH, Ag2, and AgO revisited: Basis set extensions Journal of Chemical Physics. 86: 5027-5031. DOI: 10.1063/1.452674 |
0.302 |
|
| 1986 |
Rohlfing CM, Hay PJ, Martin RL. An effective core potential investigation of Ni, Pd, and Pt and their monohydrides The Journal of Chemical Physics. 85: 1447-1455. DOI: 10.1063/1.451839 |
0.523 |
|
| 1985 |
Hay PJ, Martin RL. All‐electron and valence‐electron calculations on AgH, Ag2, and AgO The Journal of Chemical Physics. 83: 5174-5181. DOI: 10.1063/1.449729 |
0.499 |
|
| 1983 |
Sheppard MG, Schneider BI, Martin RL. Multireference many‐body perturbation theory: Application to O2 potential energy surfaces Journal of Chemical Physics. 79: 1364-1368. DOI: 10.1063/1.445892 |
0.315 |
|
| 1983 |
Martin RL. On relativistic contributions to the bonding in Cu2 Journal of Chemical Physics. 78: 5840-5842. DOI: 10.1063/1.445430 |
0.314 |
|
| 1983 |
Martin RL, Hay P. Theoretical studies of chemisorbed oxygen on Ag(110) Surface Science Letters. 130: L283-L288. DOI: 10.1016/0039-6028(83)90248-0 |
0.44 |
|
| 1982 |
Kleier DA, Martin RL, Wadt WR, Moomaw WR. Localized excitations and the geometry of the n.pi.* excited states of pyrazine Journal of the American Chemical Society. 104: 60-65. DOI: 10.1021/Ja00365A014 |
0.33 |
|
| 1981 |
Boring M, Cowan RD, Martin RL. Satellite structure in the5pand5sx-ray-photoelectron spectra of the actinides Physical Review B. 23: 445-448. DOI: 10.1103/Physrevb.23.445 |
0.321 |
|
| 1981 |
Martin RL, Hay PJ. Relativistic contributions to the low‐lying excitation energies and ionization potentials of the transition metals The Journal of Chemical Physics. 75: 4539-4545. DOI: 10.1063/1.442621 |
0.514 |
|
| 1981 |
Martin RL. Localized excitations in pyrazine and p‐benzoquinone. A valence bond model Journal of Chemical Physics. 74: 1852-1854. DOI: 10.1063/1.441274 |
0.343 |
|
| 1980 |
Noell JO, Newton MD, Hay PJ, Martin RL, Bobrowicz FW. An ab initio study of the bonding in diatomic nickel The Journal of Chemical Physics. 73: 2360-2371. DOI: 10.1063/1.440386 |
0.537 |
|
| 1980 |
NOELL JO, NEWTON MD, HAY PJ, MARTIN RL, BOBROWICZ FW. ChemInform Abstract: AN AB INITIO STUDY OF THE BONDING IN DIATOMIC NICKEL Chemischer Informationsdienst. 11. DOI: 10.1002/Chin.198051002 |
0.478 |
|
| 1979 |
Martin RL. Rydberg states of H3 Journal of Chemical Physics. 71: 3541-3542. DOI: 10.1063/1.438746 |
0.301 |
|
| 1979 |
Martin RL, Daasch WR, Davidson ER. AnL2calculation of the 1sand 2sphotoionization cross sections of Ne The Journal of Chemical Physics. 71: 2375-2380. DOI: 10.1063/1.438642 |
0.551 |
|
| 1979 |
Knight LB, Martin RL, Davidson ER. ESR matrix isolation investigation of the aluminum hydride radical cation−AlH+ The Journal of Chemical Physics. 71: 3991-3995. DOI: 10.1063/1.438154 |
0.605 |
|
| 1979 |
Martin RL, Davidson ER, Eggers DF. Ab initio theory of the polarizability and polarizability derivatives in H2S Chemical Physics. 38: 341-348. DOI: 10.1016/0301-0104(79)89008-4 |
0.55 |
|
| 1978 |
Martin R, Davidson E. Electronic structure of the sodium trimer Molecular Physics. 35: 1713-1729. DOI: 10.1080/00268977800101291 |
0.61 |
|
| 1978 |
Martin RL, McMurchie LE, Davidson ER. Transition moment closure tests for ethylene International Journal of Quantum Chemistry. 13: 161-168. DOI: 10.1002/Qua.560130202 |
0.542 |
|
| 1977 |
Martin RL, Davidson ER. Halogen atomic and diatomic1shole states Physical Review A. 16: 1341-1346. DOI: 10.1103/Physreva.16.1341 |
0.533 |
|
| 1977 |
Martin RL, Davidson ER. Correlation states in the valence XPS spectrum of ethylene Chemical Physics Letters. 51: 237-241. DOI: 10.1016/0009-2614(77)80392-8 |
0.587 |
|
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