| Year |
Citation |
Score |
| 2020 |
Mao Y, Levine DS, Loipersberger M, Horn PR, Head-Gordon M. Probing radical-molecule interactions with a second generation energy decomposition analysis of DFT calculations using absolutely localized molecular orbitals. Physical Chemistry Chemical Physics : Pccp. PMID 32510096 DOI: 10.1039/D0Cp01933J |
0.382 |
|
| 2019 |
Hait D, Tubman NM, Levine DS, Whaley KB, Head-Gordon M. What levels of coupled cluster theory are appropriate for transition metal systems? A study using near exact quantum chemical values for 3d transition metal binary compounds. Journal of Chemical Theory and Computation. PMID 31465217 DOI: 10.1021/Acs.Jctc.9B00674 |
0.326 |
|
| 2019 |
Cai IC, Ziegler MS, Bunting PC, Nicolay A, Levine DS, Kalendra V, Smith PW, Lakshmi KV, Tilley TD. Monomeric, Divalent Vanadium Bis(arylamido) Complexes: Linkage Isomerism and Reactivity Organometallics. 38: 1648-1663. DOI: 10.1021/Acs.Organomet.9B00134 |
0.361 |
|
| 2018 |
Ziegler MS, Torquato NA, Levine DS, Nicolay A, Celik H, Tilley TD. Dicopper Alkyl Complexes: Synthesis, Structure, and Unexpected Persistence Organometallics. 37: 2807-2823. DOI: 10.1021/Acs.Organomet.8B00443 |
0.368 |
|
| 2017 |
Levine DS, Head-Gordon M. Energy decomposition analysis of single bonds within Kohn-Sham density functional theory. Proceedings of the National Academy of Sciences of the United States of America. PMID 29158379 DOI: 10.1073/Pnas.1715763114 |
0.352 |
|
| 2017 |
Nguyen AI, Wang J, Levine DS, Ziegler MS, Tilley TD. Synthetic control and empirical prediction of redox potentials for Co4O4 cubanes over a 1.4 V range: implications for catalyst design and evaluation of high-valent intermediates in water oxidation. Chemical Science. 8: 4274-4284. PMID 29081963 DOI: 10.1039/C7Sc00627F |
0.342 |
|
| 2017 |
Levine DS, Tilley TD, Andersen RA. Efficient and selective catalysis for hydrogenation and hydrosilation of alkenes and alkynes with PNP complexes of scandium and yttrium. Chemical Communications (Cambridge, England). PMID 29043320 DOI: 10.1039/C7Cc06417A |
0.393 |
|
| 2017 |
Levine DS, Head-Gordon M. Quantifying the Role of Orbital Contraction in Chemical Bonding. The Journal of Physical Chemistry Letters. 1967-1972. PMID 28414227 DOI: 10.1021/Acs.Jpclett.7B00766 |
0.332 |
|
| 2017 |
Nguyen AI, Suess DL, Darago LE, Oyala PH, Levine DS, Ziegler MS, Britt RD, Tilley TD. Manganese-Cobalt Oxido Cubanes Relevant to Manganese-Doped Water Oxidation Catalysts. Journal of the American Chemical Society. PMID 28347135 DOI: 10.1021/Jacs.7B01792 |
0.349 |
|
| 2016 |
Levine DS, Horn PR, Mao Y, Head-Gordon M. Variational Energy Decomposition Analysis of Chemical Bonding I: Spin-Pure Analysis of Single Bonds. Journal of Chemical Theory and Computation. PMID 27571026 DOI: 10.1021/Acs.Jctc.6B00571 |
0.346 |
|
| 2016 |
Ziegler MS, Levine DS, Lakshmi KV, Tilley TD. Aryl Group Transfer from Tetraarylborato Anions to an Electrophilic Dicopper(I) Center and Mixed-Valence μ-Aryl Dicopper(I,II) Complexes. Journal of the American Chemical Society. PMID 27176131 DOI: 10.1021/Jacs.6B00802 |
0.383 |
|
| 2016 |
Liberman-Martin AL, Levine DS, Ziegler MS, Bergman RG, Tilley TD. Lewis acid-base interactions between platinum(ii) diaryl complexes and bis(perfluorophenyl)zinc: strongly accelerated reductive elimination induced by a Z-type ligand. Chemical Communications (Cambridge, England). PMID 27161155 DOI: 10.1039/C6Cc02433E |
0.378 |
|
| 2016 |
Weichman ML, DeVine JA, Levine DS, Kim JB, Neumark DM. Isomer-specific vibronic structure of the 9-, 1-, and 2-anthracenyl radicals via slow photoelectron velocity-map imaging. Proceedings of the National Academy of Sciences of the United States of America. PMID 26792521 DOI: 10.1073/Pnas.1520862113 |
0.323 |
|
| 2016 |
Levine DS, Tilley TD, Andersen RA. Evidence for the Existence of Group 3 Terminal Methylidene Complexes Organometallics. 36: 80-88. DOI: 10.1021/Acs.Organomet.6B00394 |
0.361 |
|
| 2016 |
Liberman-Martin AL, Levine DS, Liu W, Bergman RG, Tilley TD. Biaryl Reductive Elimination Is Dramatically Accelerated by Remote Lewis Acid Binding to a 2,2′-Bipyrimidyl–Platinum Complex: Evidence for a Bidentate Ligand Dissociation Mechanism Organometallics. 35: 1064-1069. DOI: 10.1021/Acs.Organomet.5B01003 |
0.307 |
|
| 2015 |
Levine DS, Tilley TD, Andersen RA. C-H Bond Activations by Monoanionic, PNP-Supported Scandium Dialkyl Complexes Organometallics. 34: 4647-4655. DOI: 10.1021/Acs.Organomet.5B00213 |
0.405 |
|
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