| Year |
Citation |
Score |
| 2024 |
Liu C, Aguirre NF, Cawkwell MJ, Batista ER, Yang P. Efficient Parameterization of Density Functional Tight-Binding for 5-Elements: A Th-O Case Study. Journal of Chemical Theory and Computation. PMID 38990696 DOI: 10.1021/acs.jctc.4c00145 |
0.729 |
|
| 2024 |
Ehrman JN, Shumilov K, Jenkins AJ, Kasper JM, Vitova T, Batista ER, Yang P, Li X. Unveiling Hidden Shake-Up Features in the Uranyl M-Edge Spectrum. Jacs Au. 4: 1134-1141. PMID 38559711 DOI: 10.1021/jacsau.3c00838 |
0.567 |
|
| 2024 |
Yu Z, Batista ER, Yang P, Perez D. Acceleration of Solvation Free Energy Calculation via Thermodynamic Integration Coupled with Gaussian Process Regression and Improved Gelman-Rubin Convergence Diagnostics. Journal of Chemical Theory and Computation. PMID 38470415 DOI: 10.1021/acs.jctc.3c01381 |
0.522 |
|
| 2024 |
Kravchuk D, Augustine LJ, Rajapaksha H, Benthin G, Batista ER, Yang P, Forbes T. Insights into the Mechanism of Neptunium Oxidation to the Heptavalent State. Chemistry (Weinheim An Der Bergstrasse, Germany). e202304049. PMID 38183632 DOI: 10.1002/chem.202304049 |
0.502 |
|
| 2024 |
Gilhula JC, Xu L, White FD, Adelman SL, Aldrich KE, Batista ER, Dan D, Jones ZR, Kozimor SA, Mason HE, Meyer RL, Thiele NA, Yang P, Yuan M. Advances in heavy alkaline earth chemistry provide insight into complexation of weakly polarizing Ra, Ba, and Sr cations. Science Advances. 10: eadj8765. PMID 38181087 DOI: 10.1126/sciadv.adj8765 |
0.514 |
|
| 2023 |
Taylor MG, Burrill DJ, Janssen J, Batista ER, Perez D, Yang P. Author Correction: Architector for high-throughput cross-periodic table 3D complex building. Nature Communications. 14: 6176. PMID 37794005 DOI: 10.1038/s41467-023-42034-7 |
0.488 |
|
| 2023 |
Gonzalez DG, Wang G, Batista ER, Yang P. Impact of Surface Oxidation on the Morphology of Uranium Dioxide Nanoparticles. Inorganic Chemistry. PMID 37671840 DOI: 10.1021/acs.inorgchem.3c00520 |
0.496 |
|
| 2023 |
Su J, Gong Y, Batista ER, Lucena AF, Maria L, Marçalo J, Van Stipdonk MJ, Berden G, Martens J, Oomens J, Gibson JK, Yang P. Unusual Actinyl Complexes with a Redox-Active N,S-Donor Ligand. Inorganic Chemistry. PMID 37390399 DOI: 10.1021/acs.inorgchem.3c00990 |
0.577 |
|
| 2023 |
Li B, Jones ZR, Eiroa-Lledo C, Knope KE, Mocko V, Stein BW, Wacker JN, Kozimor SA, Batista ER, Yang P. Structure and Dynamics of NaCl/KCl/CaCl-EuCl ( = 2, 3) Molten Salts. Inorganic Chemistry. PMID 37379331 DOI: 10.1021/acs.inorgchem.2c03982 |
0.53 |
|
| 2023 |
Taylor MG, Burrill DJ, Janssen J, Batista ER, Perez D, Yang P. Architector for high-throughput cross-periodic table 3D complex building. Nature Communications. 14: 2786. PMID 37188661 DOI: 10.1038/s41467-023-38169-2 |
0.57 |
|
| 2023 |
Hartline DR, Löffler ST, Fehn D, Kasper JM, Heinemann FW, Yang P, Batista ER, Meyer K. Uranium-Mediated Peroxide Activation and a Precursor toward an Elusive Uranium -Dioxo Fleeting Intermediate. Journal of the American Chemical Society. PMID 37053448 DOI: 10.1021/jacs.2c12868 |
0.578 |
|
| 2023 |
Augustine LJ, Kasper JM, Forbes TZ, Mason SE, Batista ER, Yang P. Influencing Bonding Interactions of the Neptunyl (V, VI) Cations with Electron-Donating and -Withdrawing Groups. Inorganic Chemistry. PMID 37000037 DOI: 10.1021/acs.inorgchem.2c04538 |
0.579 |
|
| 2023 |
Liao C, Kasper JM, Jenkins AJ, Yang P, Batista ER, Frisch MJ, Li X. State Interaction Linear Response Time-Dependent Density Functional Theory with Perturbative Spin-Orbit Coupling: Benchmark and Perspectives. Jacs Au. 3: 358-367. PMID 36873704 DOI: 10.1021/jacsau.2c00659 |
0.512 |
|
| 2023 |
Wang G, Batista ER, Yang P. N-to-NH conversion by excess electrons trapped in point vacancies on 5-element dioxide surfaces. Frontiers in Chemistry. 10: 1051496. PMID 36688046 DOI: 10.3389/fchem.2022.1051496 |
0.487 |
|
| 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 |
0.531 |
|
| 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 |
0.763 |
|
| 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 |
0.577 |
|
| 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 |
0.565 |
|
| 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 |
0.591 |
|
| 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 |
0.588 |
|
| 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 |
0.525 |
|
| 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 |
0.586 |
|
| 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 |
0.553 |
|
| 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 |
0.539 |
|
| 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 |
0.465 |
|
| 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 |
0.56 |
|
| 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 |
0.476 |
|
| 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 |
0.565 |
|
| 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 |
0.494 |
|
| 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 |
0.54 |
|
| 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 |
0.498 |
|
| 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 |
0.767 |
|
| 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 |
0.641 |
|
| 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 |
0.701 |
|
| 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 |
0.523 |
|
| 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 |
0.574 |
|
| 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 |
0.605 |
|
| 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 |
0.368 |
|
| 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 |
0.745 |
|
| 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 |
0.491 |
|
| 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 |
0.52 |
|
| 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 |
0.579 |
|
| 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 |
0.551 |
|
| 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 |
0.539 |
|
| 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 |
0.519 |
|
| 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 |
0.565 |
|
| 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 |
0.578 |
|
| 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 |
0.568 |
|
| 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 |
0.623 |
|
| 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 |
0.607 |
|
| 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 |
0.628 |
|
| 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 |
0.59 |
|
| 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 |
0.577 |
|
| 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 |
0.602 |
|
| 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 |
0.57 |
|
| 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 |
0.57 |
|
| 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 |
0.532 |
|
| 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 |
0.548 |
|
| 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 |
0.547 |
|
| 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 |
0.548 |
|
| 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 |
0.569 |
|
| 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 |
0.74 |
|
| 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 |
0.702 |
|
| 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 |
0.607 |
|
| 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 |
0.564 |
|
| 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 |
0.54 |
|
| 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 |
0.616 |
|
| 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 |
0.577 |
|
| 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 |
0.573 |
|
| 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 |
0.572 |
|
| 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 |
0.627 |
|
| 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 |
0.622 |
|
| 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 |
0.616 |
|
| 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 |
0.358 |
|
| 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 |
0.59 |
|
| 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 |
0.579 |
|
| 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 |
0.601 |
|
| 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 |
0.612 |
|
| 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 |
0.357 |
|
| 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 |
0.311 |
|
| 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 |
0.346 |
|
| 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 |
0.393 |
|
| 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 |
0.606 |
|
| 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 |
0.571 |
|
| 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 |
0.434 |
|
| 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 |
0.384 |
|
| 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 |
0.341 |
|
| 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 |
0.336 |
|
| 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 |
0.737 |
|
| 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 |
0.692 |
|
| 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 |
0.343 |
|
| 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 |
0.308 |
|
| 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 |
0.747 |
|
| 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 |
0.301 |
|
| 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 |
0.341 |
|
| 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 |
0.522 |
|
| 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 |
0.306 |
|
| 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 |
0.329 |
|
| 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 |
0.66 |
|
| 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 |
0.575 |
|
| 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 |
0.587 |
|
| 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 |
0.688 |
|
| 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 |
0.579 |
|
| 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 |
0.601 |
|
| 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 |
0.712 |
|
| 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 |
0.548 |
|
| 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 |
0.679 |
|
| 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 |
0.403 |
|
| 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 |
0.605 |
|
| 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 |
0.553 |
|
| 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 |
0.315 |
|
| 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 |
0.549 |
|
| 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 |
0.696 |
|
| Show low-probability matches. |