Ping Yang - Publications

Affiliations: 
Thoeretical Division Los Alamos National Laboratory, Los Alamos, NM, United States 

102 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
2022 Zhang X, Adelman SL, Arko BT, De Silva CR, Su J, Kozimor SA, Mocko V, Shafer JC, Stein BW, Schreckenbach G, Batista ER, Yang P. Advancing the Am Extractant Design through the Interplay among Planarity, Preorganization, and Substitution Effects. Inorganic Chemistry. PMID 35866884 DOI: 10.1021/acs.inorgchem.2c00534  0.542
2022 McNeece AJ, Jaroš A, Batista ER, Yang P, Scott BL, Davis B. Hydrazine Energy Storage: Displacing N2H4 from the Metal Coordination Sphere. Chemsuschem. PMID 35864078 DOI: 10.1002/cssc.202200840  0.758
2022 Aldrich KE, Popov IA, Root HD, Batista ER, Greer SM, Kozimor SA, Lilley LM, Livshits MY, Mocko V, Janicke MT, Scott BL, Stein BW, Yang P. Synthesis, solid-state, solution, and theoretical characterization of an "in-cage" scandium-NOTA complex. Dalton Transactions (Cambridge, England : 2003). PMID 35739082 DOI: 10.1039/d1dt03887g  0.589
2022 Rice NT, Popov IA, Carlson RK, Greer SM, Boggiano AC, Stein BW, Bacsa J, Batista ER, Yang P, La Pierre HS. Spectroscopic and electrochemical characterization of a Pr imidophosphorane complex and the redox chemistry of Nd and Dy complexes. Dalton Transactions (Cambridge, England : 2003). 51: 6696-6706. PMID 35412547 DOI: 10.1039/d2dt00758d  0.577
2022 Popov IA, Billow BS, Carpenter SH, Batista ER, Boncella JM, Tondreau AM, Yang P. An allyl uranium(IV) sandwich complex: are φ bonding interactions possible? Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 35286723 DOI: 10.1002/chem.202200114  0.607
2022 Kasper JM, Li X, Kozimor SA, Batista ER, Yang P. Relativistic Effects in Modeling the Ligand K-Edge X-ray Absorption Near-Edge Structure of Uranium Complexes. Journal of Chemical Theory and Computation. PMID 35274960 DOI: 10.1021/acs.jctc.1c00851  0.601
2021 Goodwin CAP, Su J, Stevens LM, White FD, Anderson NH, Auxier JD, Albrecht-Schönzart TE, Batista ER, Briscoe SF, Cross JN, Evans WJ, Gaiser AN, Gaunt AJ, James MR, Janicke MT, ... ... Yang P, et al. Isolation and characterization of a californium metallocene. Nature. 599: 421-424. PMID 34789902 DOI: 10.1038/s41586-021-04027-8  0.537
2021 Su J, Cheisson T, McSkimming A, Goodwin CAP, DiMucci IM, Albrecht-Schönzart T, Scott BL, Batista ER, Gaunt AJ, Kozimor SA, Yang P, Schelter EJ. Complexation and redox chemistry of neptunium, plutonium and americium with a hydroxylaminato ligand. Chemical Science. 12: 13343-13359. PMID 34777753 DOI: 10.1039/d1sc03905a  0.598
2021 MacInnes MM, Jones ZR, Li B, Anderson NH, Batista ER, DiMucci IM, Eiroa-Lledo C, Knope KE, Livshits MY, Kozimor SA, Mocko V, Pace KA, Rocha FR, Stein BW, Wacker JN, ... Yang P, et al. Using molten salts to probe outer-coordination sphere effects on lanthanide(III)/(II) electron-transfer reactions. Dalton Transactions (Cambridge, England : 2003). PMID 34693951 DOI: 10.1039/d1dt02708e  0.565
2021 Karmakar A, Mukundan R, Yang P, Batista ER. Screening of metal complexes and organic solvents using the COSMOSAC-LANL model to enhance the energy density in a non-aqueous redox flow cell: an insight into the solubility. Physical Chemistry Chemical Physics : Pccp. PMID 34523634 DOI: 10.1039/d1cp02591k  0.551
2021 Tynes M, Gao W, Burrill DJ, Batista ER, Perez D, Yang P, Lubbers N. Pairwise Difference Regression: A Machine Learning Meta-algorithm for Improved Prediction and Uncertainty Quantification in Chemical Search. Journal of Chemical Information and Modeling. PMID 34347460 DOI: 10.1021/acs.jcim.1c00670  0.47
2021 Bessen NP, Popov IA, Heathman CR, Grimes TS, Zalupski PR, Moreau LM, Smith KF, Booth CH, Abergel RJ, Batista ER, Yang P, Shafer JC. Complexation of Lanthanides and Heavy Actinides with Aqueous Sulfur-Donating Ligands. Inorganic Chemistry. PMID 33866779 DOI: 10.1021/acs.inorgchem.1c00257  0.572
2021 Palmer TC, Beamer A, Pitt T, Popov IA, Cammack CX, Pratt HD, Anderson TM, Batista ER, Yang P, Davis BL. A Comparative Review of Metal-Based Charge Carriers in Nonaqueous Flow Batteries. Chemsuschem. PMID 33590699 DOI: 10.1002/cssc.202100152  0.487
2021 Goodwin CAP, Schlimgen AW, Albrecht-Schonzart TE, Batista ER, Gaunt A, Janicke MT, Kozimor SA, Scott BL, Stevens LM, White FD, Yang P. Structural and spectroscopic comparison of soft-Se vs hard-O donor bonding in trivalent americium/neodymium molecules. Angewandte Chemie (International Ed. in English). PMID 33529478 DOI: 10.1002/anie.202017186  0.578
2020 Palmer TC, Beamer A, Pitt T, Popov IA, Cammack CX, Pratt HD, Anderson TM, Batista ER, Yang P, Davis B. A Comparative Review of Metal-Based Charge Carriers in Nonaqueous Flow Batteries. Chemsuschem. PMID 33305517 DOI: 10.1002/cssc.202002354  0.503
2020 Morgenstern A, Lilley LM, Stein BW, Kozimor SA, Batista ER, Yang P. Computer-Assisted Design of Macrocyclic Chelators for Actinium-225 Radiotherapeutics. Inorganic Chemistry. PMID 33213142 DOI: 10.1021/acs.inorgchem.0c02432  0.55
2020 Carlson RK, Yang P, Clegg SM, Batista ER. Mechanistic Study of the Production of NO Gases from the Reaction of Copper with Nitric Acid. Inorganic Chemistry. PMID 33202122 DOI: 10.1021/acs.inorgchem.0c00607  0.507
2020 Liu C, Batista ER, Aguirre NF, Yang P, Cawkwell MJ, Jakubikova E. SCC-DFTB Parameters for Fe-C Interactions. The Journal of Physical Chemistry. A. PMID 33164521 DOI: 10.1021/acs.jpca.0c08202  0.762
2020 Rice NT, Popov IA, Russo DR, Gompa TP, Ramanathan A, Bacsa J, Batista ER, Yang P, La Pierre HS. Comparison of tetravalent cerium and terbium ions in a conserved, homoleptic imidophosphorane ligand field. Chemical Science. 11: 6149-6159. PMID 32832060 DOI: 10.1039/D0Sc01414A  0.654
2020 Aguirre NF, Jung J, Yang P. Unraveling the structural stability and the electronic structure of ThO clusters. Physical Chemistry Chemical Physics : Pccp. PMID 32789326 DOI: 10.1039/D0Cp00478B  0.706
2020 Enriquez E, Wang G, Sharma Y, Sarpkaya I, Wang Q, Chen D, Winner N, Guo X, Dunwoody J, White JT, Nelson A, Xu H, Dowden P, Batista ER, Htoon H, ... Yang P, et al. Structural and optical properties of phase-pure UO2, α-U3O8 and α-UO3 epitaxial thin films grown by pulsed laser deposition. Acs Applied Materials & Interfaces. PMID 32667179 DOI: 10.1021/Acsami.0C08635  0.53
2020 Carlson RK, Cawkwell MJ, Batista ER, Yang P. Tight-Binding Modeling of Uranium in an Aqueous Environment. Journal of Chemical Theory and Computation. PMID 32337989 DOI: 10.1021/Acs.Jctc.0C00089  0.578
2020 Kelley MP, Popov IA, Jung J, Batista ER, Yang P. δ and φ back-donation in An metallacycles. Nature Communications. 11: 1558. PMID 32214090 DOI: 10.1038/S41467-020-15197-W  0.617
2020 Pagano JK, Xie J, Erickson KA, Cope SK, Scott BL, Wu R, Waterman R, Morris DE, Yang P, Gagliardi L, Kiplinger JL. Actinide 2-metallabiphenylenes that satisfy Hückel's rule. Nature. 578: 563-567. PMID 32103196 DOI: 10.1038/S41586-020-2004-7  0.37
2020 Aguirre NF, Morgenstern A, Cawkwell MJ, Batista ER, Yang P. Development of Density Functional Tight-Binding Parameters Using Relative Energy Fitting and Particle Swarm Optimization. Journal of Chemical Theory and Computation. PMID 32078317 DOI: 10.1021/Acs.Jctc.9B00880  0.747
2020 Wang G, Yang P, Batista ER. Computational screening of two-dimensional coatings for semiconducting photocathodes Physical Review Materials. 4. DOI: 10.1103/Physrevmaterials.4.024001  0.495
2020 Guo L, Yamaguchi H, Yamamoto M, Matsui F, Wang G, Liu F, Yang P, Batista ER, Moody NA, Takashima Y, Katoh M. Graphene as reusable substrate for bialkali photocathodes Applied Physics Letters. 116: 251903. DOI: 10.1063/5.0010816  0.527
2020 Andrade GA, Popov IA, Federico CR, Yang P, Batista ER, Mukundan R, Davis BL. Expanding the potential of redox carriers for flow battery applications Journal of Materials Chemistry. 8: 17808-17816. DOI: 10.1039/D0Ta04511J  0.589
2020 Baker JL, Wang G, Ulrich T, White JT, Batista ER, Yang P, Roback RC, Park C, Xu H. High-pressure structural behavior and elastic properties of U3Si5: A combined synchrotron XRD and DFT study Journal of Nuclear Materials. 540: 152373. DOI: 10.1016/J.Jnucmat.2020.152373  0.561
2020 Carpenter MH, Croce MP, Baker ZK, Batista ER, Caffrey MP, Fontes CJ, Koehler KE, Kossmann SE, McIntosh KG, Rabin MW, Renck BW, Wagner GL, Wilkerson MP, Yang P, Yoho MD, et al. Hyperspectral X-ray Imaging with TES Detectors for Nanoscale Chemical Speciation Mapping Journal of Low Temperature Physics. 200: 437-444. DOI: 10.1007/S10909-020-02456-9  0.548
2019 Karmakar A, Mukundan R, Yang P, Batista ER. Solubility model of metal complex in ionic liquids from first principle calculations. Rsc Advances. 9: 18506-18526. PMID 35515257 DOI: 10.1039/c9ra04042k  0.531
2019 Stein BW, Morgenstern A, Batista ER, Birnbaum ER, Bone SE, Cary SK, Ferrier MG, John KD, Pacheco JL, Kozimor SA, Mocko V, Scott BL, Yang P. Advancing Chelation Chemistry for Actinium and Other +3 f-Elements, Am, Cm, and La. Journal of the American Chemical Society. PMID 31794205 DOI: 10.1021/Jacs.9B10354  0.573
2019 Pu N, Su J, Xu L, Sun TX, Batista ER, Chen J, Yang P, Shafer JC, Xu C. "Sweeping" Ortho Substituents Drive Desolvation and Overwhelm Electronic Effects in Nd Chelation: A Case of Three Aryldithiophosphinates. Inorganic Chemistry. PMID 31498603 DOI: 10.1021/Acs.Inorgchem.9B01931  0.589
2019 Cheisson T, Jian J, Su J, Eaton TM, Gau MR, Carroll PJ, Batista ER, Yang P, Gibson JK, Schelter EJ. Halide anion discrimination by a tripodal hydroxylamine ligand in gas and condensed phases. Physical Chemistry Chemical Physics : Pccp. PMID 31475264 DOI: 10.1039/C9Cp03764K  0.578
2019 Rice NT, Popov IA, Russo DR, Bacsa J, Batista ER, Yang P, Telser J, La Pierre HS. Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex. Journal of the American Chemical Society. PMID 31352780 DOI: 10.1021/Jacs.9B06622  0.634
2019 Goodwin C, Su J, Albrecht-Schmitt T, Blake A, Batista E, Daly S, Dehnen S, Evans W, Gaunt A, Kozimor S, Lichtenberger N, Scott B, Yang P. [Am(C5Me4H)3], an organometallic americium complex. Angewandte Chemie (International Ed. in English). PMID 31190446 DOI: 10.1002/Anie.201905225  0.619
2019 Rice NT, Su J, Gompa TP, Russo DR, Telser J, Palatinus L, Bacsa J, Yang P, Batista ER, La Pierre HS. Homoleptic Imidophosphorane Stabilization of Tetravalent Cerium. Inorganic Chemistry. PMID 30943020 DOI: 10.1021/Acs.Inorgchem.9B00368  0.64
2019 Lehman-Andino I, Su J, Papathanasiou KE, Eaton TM, Jian J, Dan D, Albrecht-Schmitt TE, Dares CJ, Batista ER, Yang P, Gibson JK, Kavallieratos K. Soft-donor dipicolinamide derivatives for selective actinide(iii)/lanthanide(iii) separation: the role of S- vs. O-donor sites. Chemical Communications (Cambridge, England). PMID 30734779 DOI: 10.1039/C8Cc07683A  0.601
2019 Chu T, Popov I, Andrade GA, Maurya S, Yang P, Batista E, Scott BL, Mukundan R, Davis B. Linked Picolinamide Nickel Complexes As Redox Carriers for Non-Aqueous Flow Batteries. Chemsuschem. PMID 30675995 DOI: 10.1002/Cssc.201802985  0.589
2019 Popov IA, Davis BL, Mukundan R, Batista ER, Yang P. Catalyst-Inspired Charge Carriers for High Energy Density Redox Flow Batteries Frontiers in Physics. 6. DOI: 10.3389/Fphy.2018.00141  0.612
2019 Karmakar A, Mukundan R, Yang P, Batista ER. Solubility model of metal complex in ionic liquids from first principle calculations Rsc Advances. 9: 18506-18526. DOI: 10.1039/C9Ra04042K  0.58
2019 Wang G, Batista ER, Yang P. Excess Electrons on Reduced AnO2 (111) Surfaces (An = Th, U, Pu) and Their Impacts on Catalytic Water Splitting The Journal of Physical Chemistry C. 123: 30245-30251. DOI: 10.1021/Acs.Jpcc.9B06543  0.578
2019 Chung C, Guo X, Wang G, Wilson TL, White JT, Nelson AT, Shelyug A, Boukhalfa H, Yang P, Batista ER, Migdisov AA, Roback RC, Navrotsky A, Xu H. Enthalpies of formation and phase stability relations of USi, U3Si5 and U3Si2 Journal of Nuclear Materials. 523: 101-110. DOI: 10.1016/J.Jnucmat.2019.05.052  0.54
2019 Chu T, Popov IA, Andrade GA, Maurya S, Yang P, Batista ER, Scott BL, Mukundan R, Davis BL. Cover Feature: Linked Picolinamide Nickel Complexes as Redox Carriers for Nonaqueous Flow Batteries (ChemSusChem 7/2019) Chemsuschem. 12: 1268-1268. DOI: 10.1002/Cssc.201900794  0.558
2019 Goodwin CAP, Su J, Albrecht‐Schmitt TE, Blake AV, Batista ER, Daly SR, Dehnen S, Evans WJ, Gaunt AJ, Kozimor SA, Lichtenberger N, Scott BL, Yang P. Back Cover: [Am(C 5 Me 4 H) 3 ]: An Organometallic Americium Complex (Angew. Chem. Int. Ed. 34/2019) Angewandte Chemie International Edition. 58: 11924-11924. DOI: 10.1002/Anie.201907513  0.559
2019 Goodwin CAP, Su J, Albrecht‐Schmitt TE, Blake AV, Batista ER, Daly SR, Dehnen S, Evans WJ, Gaunt AJ, Kozimor SA, Lichtenberger N, Scott BL, Yang P. Rücktitelbild: [Am(C 5 Me 4 H) 3 ]: An Organometallic Americium Complex (Angew. Chem. 34/2019) Angewandte Chemie. 131: 12050-12050. DOI: 10.1002/Ange.201907513  0.559
2018 Popov IA, Mehio N, Chu T, Davis BL, Mukundan R, Yang P, Batista ER. Impact of Ligand Substitutions on Multielectron Redox Properties of Fe Complexes Supported by Nitrogenous Chelates. Acs Omega. 3: 14766-14778. PMID 31458151 DOI: 10.1021/acsomega.8b01921  0.582
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, ... ... Yang P, et al. Energy-Degeneracy-Driven Covalency in Actinide Bonding. Journal of the American Chemical Society. PMID 30540455 DOI: 10.1021/Jacs.8B09436  0.745
2018 Reilly SD, Su J, Keith JM, Yang P, Batista ER, Gaunt AJ, Harwood LM, Hudson MJ, Lewis FW, Scott BL, Sharrad CA, Whittaker DM. Plutonium coordination and redox chemistry with the CyMe-BTPhen polydentate N-donor extractant ligand. Chemical Communications (Cambridge, England). PMID 30349920 DOI: 10.1039/C8Cc06015K  0.709
2018 Kelley MP, Bessen NP, Su J, Urban M, Sinkov SI, Lumetta GJ, Batista ER, Yang P, Shafer JC. Revisiting complexation thermodynamics of transplutonium elements up to einsteinium. Chemical Communications (Cambridge, England). PMID 30175362 DOI: 10.1039/C8Cc05230A  0.617
2018 Cary SK, Su J, Galley SS, Albrecht-Schmitt TE, Batista ER, Ferrier MG, Kozimor SA, Mocko V, Scott BL, Van Alstine CE, White FD, Yang P. A series of dithiocarbamates for americium, curium, and californium. Dalton Transactions (Cambridge, England : 2003). PMID 30168828 DOI: 10.1039/C8Dt02658K  0.574
2018 Kelley MP, Yang P, Clark SB, Clark AE. Competitive Interactions Within Cm(III) Solvation in Binary Water/Methanol Solutions. Inorganic Chemistry. PMID 30067015 DOI: 10.1021/Acs.Inorgchem.8B01214  0.546
2018 Tondreau AM, Duignan TJ, Stein BW, Fleischauer VE, Autschbach J, Batista ER, Boncella JM, Ferrier MG, Kozimor SA, Mocko V, Neidig ML, Cary SK, Yang P. A Pseudotetrahedral Uranium(V) Complex. Inorganic Chemistry. PMID 29975519 DOI: 10.1021/Acs.Inorgchem.7B03139  0.628
2018 Su J, Windorff CJ, Batista ER, Evans WJ, Gaunt AJ, Janicke MT, Kozimor SA, Scott BL, Woen DH, Yang P. Identification of the Formal +2 Oxidation State of Neptunium: Synthesis and Structural Characterization of {Np[CH(SiMe)]}. Journal of the American Chemical Society. PMID 29870238 DOI: 10.1021/Jacs.8B03907  0.585
2018 Rungthanaphatsophon P, Duignan TJ, Myers AJ, Vilanova SP, Barnes CL, Autschbach J, Batista ER, Yang P, Walensky JR. Influence of Substituents on the Electronic Structure of Mono- and Bis(phosphido) Thorium(IV) Complexes. Inorganic Chemistry. PMID 29855186 DOI: 10.1021/Acs.Inorgchem.8B00922  0.585
2018 Wang G, Batista ER, Yang P. Ligand induced shape transformation of thorium dioxide nanocrystals. Physical Chemistry Chemical Physics : Pccp. PMID 29700508 DOI: 10.1039/C8Cp00240A  0.576
2018 Kelley MP, Deblonde GJ, Su J, Booth CH, Abergel RJ, Batista ER, Yang P. Bond Covalency and Oxidation State of Actinide Ions Complexed with Therapeutic Chelating Agent 3,4,3-LI(1,2-HOPO). Inorganic Chemistry. PMID 29624372 DOI: 10.1021/Acs.Inorgchem.8B00345  0.638
2018 McSkimming A, Su J, Cheisson T, Gau MR, Carroll PJ, Batista ER, Yang P, Schelter EJ. Coordination Chemistry of a Strongly-Donating Hydroxylamine with Early Actinides: An Investigation of Redox Properties and Electronic Structure. Inorganic Chemistry. PMID 29569906 DOI: 10.1021/Acs.Inorgchem.7B03238  0.63
2018 Deblonde G, Kelley M, Su J, Batista E, Yang P, Booth C, Abergel RJ. Spectroscopic and computational characterization of DTPA-transplutonium chelates: evidencing heterogeneity in the heavy actinide(III) series. Angewandte Chemie (International Ed. in English). PMID 29473263 DOI: 10.1002/Anie.201709183  0.628
2017 Krishnapriyan A, Yang P, Niklasson AMN, Cawkwell MJ. Numerical Optimization of Density Functional Tight Binding Models: Application to Molecules Containing Carbon, Hydrogen, Nitrogen, and Oxygen. Journal of Chemical Theory and Computation. PMID 29039935 DOI: 10.1021/Acs.Jctc.7B00762  0.354
2017 Fieser ME, Ferrier MG, Su J, Batista E, Cary SK, Engle JW, Evans WJ, Lezama Pacheco JS, Kozimor SA, Olson AC, Ryan AJ, Stein BW, Wagner GL, Woen DH, Vitova T, ... Yang P, et al. Evaluating the electronic structure of formal Ln(II) ions in Ln(II)(C5H4SiMe3)3(1-) using XANES spectroscopy and DFT calculations. Chemical Science. 8: 6076-6091. PMID 28989638 DOI: 10.1039/C7Sc00825B  0.602
2017 Duignan T, Autschbach J, Batista E, Yang P. Assessment of tuned range separated exchange functionals for spectroscopies and properties of uranium complexes. Journal of Chemical Theory and Computation. PMID 28700234 DOI: 10.1021/Acs.Jctc.7B00526  0.589
2017 Kelley MP, Su J, Urban M, Luckey M, Batista ER, Yang P, Shafer JC. On the Origin of Covalent Bonding in Heavy Actinides. Journal of the American Chemical Society. PMID 28657317 DOI: 10.1021/Jacs.7B03251  0.611
2017 Cross JN, Su J, Batista ER, Cary SK, Evans WJ, Kozimor SA, Mocko V, Scott BL, Stein BW, Windorff CJ, Yang P. Covalency in Americium(III) Hexachloride. Journal of the American Chemical Society. PMID 28613849 DOI: 10.1021/Jacs.7B03755  0.623
2017 Li J, Schwarz WHE, Huang W, Jiang N, Yang P. The Diversity of Chemical Bonding and Oxidation States in MS4 Molecules of Group-8 Elements. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28516506 DOI: 10.1002/Chem.201701117  0.353
2016 Li WL, Liu HT, Jian T, Lopez GV, Piazza ZA, Huang DL, Chen TT, Su J, Yang P, Chen X, Wang LS, Li J. Bond-bending isomerism of AuI: competition between covalent bonding and aurophilicity. Chemical Science. 7: 475-481. PMID 29896343 DOI: 10.1039/C5Sc03568F  0.31
2016 Silver MA, Cary SK, Johnson JA, Baumbach RE, Arico AA, Luckey M, Urban M, Wang JC, Polinski MJ, Chemey A, Liu G, Chen KW, Van Cleve SM, Marsh ML, Eaton TM, ... ... Yang P, et al. Characterization of berkelium(III) dipicolinate and borate compounds in solution and the solid state. Science (New York, N.Y.). 353. PMID 27563098 DOI: 10.1126/Science.Aaf3762  0.344
2016 Lukens WW, Speldrich M, Yang P, Duignan TJ, Autschbach J, Kögerler P. The roles of 4f- and 5f-orbitals in bonding: a magnetochemical, crystal field, density functional theory, and multi-reference wavefunction study. Dalton Transactions (Cambridge, England : 2003). PMID 27349178 DOI: 10.1039/C6Dt00634E  0.396
2016 Winston MS, Batista ER, Yang P, Tondreau AM, Boncella JM. Extending Stannyl Anion Chemistry to the Actinides: Synthesis and Characterization of a Uranium-Tin Bond. Inorganic Chemistry. PMID 27219499 DOI: 10.1021/Acs.Inorgchem.6B00543  0.617
2016 Kelley MP, Yang P, Clark SB, Clark AE. Structural and Thermodynamic Properties of the Cm(III) Ion Solvated by Water and Methanol. Inorganic Chemistry. PMID 27120717 DOI: 10.1021/Acs.Inorgchem.6B00477  0.58
2016 Browne KP, Maerzke KA, Travia NE, Morris DE, Scott BL, Henson NJ, Yang P, Kiplinger JL, Veauthier JM. Synthesis, Characterization, and Density Functional Theory Analysis of Uranium and Thorium Complexes Containing Nitrogen-Rich 5-Methyltetrazolate Ligands. Inorganic Chemistry. PMID 27110650 DOI: 10.1021/Acs.Inorgchem.6B00492  0.453
2016 Sturzbecher-Hoehne M, Yang P, D'Aléo A, Abergel RJ. Intramolecular sensitization of americium luminescence in solution: shining light on short-lived forbidden 5f transitions. Dalton Transactions (Cambridge, England : 2003). PMID 26961598 DOI: 10.1039/C6Dt00328A  0.387
2014 Zhang J, Yang P, Sun ZR, Wang XB. Covalently bound tetracoordinated organoborons as superhalogens: a combined negative ion photoelectron spectroscopy and theoretical study. The Journal of Physical Chemistry. A. 118: 8074-80. PMID 24261868 DOI: 10.1021/Jp410009A  0.342
2014 Gao Y, Zhou B, Kang SG, Xin M, Yang P, Dai X, Wang Z, Zhou R. Effect of ligands on the characteristics of (CdSe)13 quantum dots Rsc Advances. 4: 27146-27151. DOI: 10.1039/C4Ra03202K  0.338
2013 van der Eide EF, Yang P, Bullock RM. Isolation of two agostic isomers of an organometallic cation: different structures and colors. Angewandte Chemie (International Ed. in English). 52: 10190-4. PMID 23897712 DOI: 10.1002/Anie.201305032  0.32
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, ... ... Yang P, 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  0.741
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  0.703
2013 Van Der Eide EF, Hou GL, Deng SHM, Wen H, Yang P, Bullock RM, Wang XB. Metal-centered 17-electron radicals CpM(CO)3 • (M = Cr, Mo, W): A combined negative ion photoelectron spectroscopic and theoretical study Organometallics. 32: 2084-2091. DOI: 10.1021/Om3011454  0.344
2013 Lu Z, Karakoti A, Velarde L, Wang W, Yang P, Thevuthasan S, Wang HF. Dissociative binding of carboxylic acid ligand on nanoceria surface in aqueous solution: A joint in situ spectroscopic characterization and first-principles study Journal of Physical Chemistry C. 117: 24329-24338. DOI: 10.1021/Jp4068747  0.302
2012 van der Eide EF, Yang P, Walter ED, Liu T, Bullock RM. Dinuclear metalloradicals featuring unsupported metal-metal bonds. Angewandte Chemie (International Ed. in English). 51: 8361-4. PMID 22821475 DOI: 10.1002/Anie.201203531  0.325
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  0.753
2012 Zhou Y, Wang Z, Yang P, Zu X, Gao F. Electronic and optical properties of two-dimensional covalent organic frameworks Journal of Materials Chemistry. 22: 16964-16970. DOI: 10.1039/C2Jm32321D  0.304
2012 Zhou Y, Wang Z, Nie J, Yang P, Sun X, Khaleel MA, Zu X, Gao F. Vacancies in fully hydrogenated boron nitride layer: implications for functional nanodevices Physica Status Solidi-Rapid Research Letters. 6: 105-107. DOI: 10.1002/Pssr.201105513  0.313
2011 Zhou Y, Yang P, Wang Z, Zu XT, Xiao HY, Sun X, Khaleel MA, Gao F. Electronic and magnetic properties of substituted BN sheets: A density functional theory study Physical Chemistry Chemical Physics. 13: 7378-7383. PMID 21423980 DOI: 10.1039/C0Cp02001J  0.343
2011 Yang P, Tretiak S, Ivanov S. Influence of Surfactants and Charges on CdSe Quantum Dots Journal of Cluster Science. 22: 405-431. DOI: 10.1007/S10876-011-0398-Y  0.533
2010 Zhou Y, Zu XT, Yang P, Xiao HY, Gao F. Oxygen-induced magnetic properties and metallic behavior of a BN sheet Journal of Physics: Condensed Matter. 22: 465303. PMID 21403364 DOI: 10.1088/0953-8984/22/46/465303  0.303
2010 Ellis PD, Sears JA, Yang P, Dupuis M, Boron TT, Pecoraro VL, Stich TA, Britt RD, Lipton AS. Solid-state (55)Mn NMR spectroscopy of bis(μ-oxo)dimanganese(IV) [Mn(2)O(2)(salpn)(2)], a model for the oxygen evolving complex in photosystem II. Journal of the American Chemical Society. 132: 16727-9. PMID 21058720 DOI: 10.1021/Ja1054252  0.33
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  0.666
2010 Spencer LP, Yang P, Scott BL, Batista ER, Boncella JM. Uranium(VI) bis(imido) disulfonamide and dihalide complexes: Synthesis density functional theory analysis Comptes Rendus Chimie. 13: 758-766. DOI: 10.1016/J.Crci.2010.01.016  0.588
2009 Spencer LP, Yang P, Scott BL, Batista ER, Boncella JM. Oxidative addition to U(V)-U(V) dimers: facile routes to uranium(VI) bis(imido) complexes. Inorganic Chemistry. 48: 11615-23. PMID 19947591 DOI: 10.1021/Ic901581R  0.6
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  0.696
2009 Spencer LP, Schelter EJ, Yang P, Gdula RL, Scott BL, Thompson JD, Kiplinger JL, Batista ER, Boncella JM. Cation-cation interactions, magnetic communication, and reactivity of the pentavalent uranium ion [U(NtBu)2]+. Angewandte Chemie (International Ed. in English). 48: 3795-8. PMID 19378314 DOI: 10.1002/Anie.200806190  0.59
2009 Spencer LP, Yang P, Scott BL, Batista ER, Boncella JM. Uranium(VI) bis(imido) chalcogenate complexes: synthesis and density functional theory analysis. Inorganic Chemistry. 48: 2693-700. PMID 19216556 DOI: 10.1021/Ic802212M  0.613
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  0.719
2008 Yang P, Tretiak S, Masunov AE, Ivanov S. Quantum chemistry of the minimal CdSe clusters Journal of Chemical Physics. 129. PMID 19044794 DOI: 10.1063/1.2965532  0.56
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  0.689
2008 Graves CR, Yang P, Kozimor SA, Vaughn AE, Clark DL, Conradson SD, Schelter EJ, Scott BL, Thompson JD, Hay PJ, Morris DE, Kiplinger JL. Organometallic uranium(V)-imido halide complexes: from synthesis to electronic structure and bonding. Journal of the American Chemical Society. 130: 5272-85. PMID 18366174 DOI: 10.1021/Ja711010H  0.411
2008 Spencer LP, Yang P, Scott BL, Batista ER, Boncella JM. Imido exchange in bis(imido) uranium(VI) complexes with aryl isocyanates. Journal of the American Chemical Society. 130: 2930-1. PMID 18271590 DOI: 10.1021/Ja7107454  0.617
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  0.565
2007 Yang P, Spiess B, Murthy PP, Brown RE. Influence of metal cations on the intramolecular hydrogen-bonding network and pKa in phosphorylated compounds. The Journal of Physical Chemistry. A. 111: 3602-12. PMID 17432837 DOI: 10.1021/Jp068890D  0.318
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  0.56
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  0.703
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