Clarifying the quantum mechanical origin of the covalent chemical bond von Levine, Daniel S., Head-Gordon, Martin

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The Ground State Electronic Energy of Benzene von Eriksen, Janus J, Anderson, Tyler A, Deustua, J. Emiliano, Ghanem, Khaldoon, Hait, Diptarka, Hoffmann, Mark R, Lee, Seunghoon, Levine, Daniel S, Magoulas, Ilias, Shen, Jun, Tubman, Norm M, Whaley, K. Birgitta, Xu, Enhua, Yao, Yuan, Zhang, Ning, Alavi, Ali, Chan, Garnet Kin-Lic, Head-Gordon, Martin, Liu, Wenjian, Piecuch, Piotr, Sharma, Sandeep, Ten-no, Seiichiro L, Umrigar, C. J, Gauss, Jürgen

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Expanded Helicenes: A General Synthetic Strategy and Remarkable Supramolecular and Solid-State Behavior von Kiel, Gavin R, Patel, Sajan C, Smith, Patrick W, Levine, Daniel S, Tilley, T. Don

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Evidence for the Existence of Group 3 Terminal Methylidene Complexes von Levine, Daniel S, Tilley, T. Don, Andersen, Richard A

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Healing the Reason-Emotion Split: Scarecrows, Tin Woodmen, and the Wizard von Levine, Daniel S

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C–H Bond Activations by Monoanionic, PNP-Supported Scandium Dialkyl Complexes von Levine, Daniel S, Tilley, T. Don, Andersen, Richard A

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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... von Nguyen, Andy I, Wang, Jianing, Levine, Daniel S, Ziegler, Micah S, Tilley, TDon

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Isomer-specific vibronic structure of the 9-, 1-, and 2-anthracenyl radicals via slow photoelectron velocity-map imaging von Weichman, Marissa L., DeVine, Jessalyn A., Levine, Daniel S., Kim, Jongjin B., Neumark, Daniel M.

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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... von Liberman-Martin, Allegra L, Levine, Daniel S, Liu, Wenjun, Bergman, Robert G, Tilley, T. Don

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Energy decomposition analysis of single bonds within Kohn–Sham density functional theory von Levine, Daniel S., Head-Gordon, Martin

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Monomeric, Divalent Vanadium Bis(arylamido) Complexes: Linkage Isomerism and Reactivity von Cai, Irene C, Ziegler, Micah S, Bunting, Philip C, Nicolay, Amélie, Levine, Daniel S, Kalendra, Vidmantas, Smith, Patrick W, Lakshmi, K. V, Tilley, T. Don

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Silver nanoparticles supported on passivated silica: preparation and catalytic performance in alkyne semi-hydrogenation von Oakton, Emma, Vilé, Gianvito, Levine, Daniel S, Zocher, Eva, Baudouin, David, Pérez-Ramírez, Javier, Copéret, Christophe

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Lewis acid-base interactions between platinum() diaryl complexes and bis(perfluorophenyl)zinc: strongly accelerated reductive elimination induced by a Z-type ligand von Liberman-Martin, Allegra L, Levine, Daniel S, Ziegler, Micah S, Bergman, Robert G, Tilley, T. Don

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Oligoprogression in Metastatic, Castrate-Resistant Prostate Cancer-Prevalence and Current Clinical Practice von Patel, Priyanka H, Tunariu, Nina, Levine, Daniel S, de Bono, Johann S, Eeles, Rosalind A, Khoo, Vincent, Murray, Julia, Parker, Christopher C, Pathmanathan, Angela, Reid, Alison, van As, Nicholas, Tree, Alison C

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CASSCF with Extremely Large Active Spaces Using the Adaptive Sampling Configuration Interaction Method von Levine, Daniel S, Hait, Diptarka, Tubman, Norm M, Lehtola, Susi, Whaley, K. Birgitta, Head-Gordon, Martin

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Modern Approaches to Exact Diagonalization and Selected Configuration Interaction with the Adaptive Sampling CI Method von Tubman, Norm M, Freeman, C. Daniel, Levine, Daniel S, Hait, Diptarka, Head-Gordon, Martin, Whaley, K. Birgitta

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One or two minds? Neural network modeling of decision making by the unified self von Levine, Daniel S.

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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 von Hait, Diptarka, Tubman, Norman M, Levine, Daniel S, Whaley, K. Birgitta, Head-Gordon, Martin

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Chemical Bonding and the Role of Node-Induced Electron Confinement von Sterling, Alistair J., Levine, Daniel S., Aldossary, Abdulrahman, Head-Gordon, Martin

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From Intermolecular Interaction Energies and Observable Shifts to Component Contributions and Back Again: A Tale of Variational Energy Decomposition Analysis von Mao, Yuezhi, Loipersberger, Matthias, Horn, Paul R, Das, Akshaya, Demerdash, Omar, Levine, Daniel S, Prasad Veccham, Srimukh, Head-Gordon, Teresa, Head-Gordon, Martin

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