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Computational Studies of Relative Stabilities of Low-Spin d(6) cis- and trans-[M(en)(2)X-2](+) Complexes (M = Co, Rh, Ir): Steric and Electronic Effects in the Context of the Structural Trans Influence Amaro NA, Ammerman KR, Boland DJ, Bork CJ, Davis JV, Haskell DW, Hoeksema C, Juskevice SJ, Obrycki KM, Pacheco G, Padilla N, Rasmussen RA, Riggins-Walker TR, Sattar ZS, Skrypai Y, Hoerchler KB, De Lio AM, Gilbert TM Journal of Physical Chemistry A, 123(12), 2438, 2019 |
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Computational Study of the Ene/Rearrangement Reaction between (F3C)(2) B=NMe2, 1, and Acetonitrile: Reactant-Catalyzed Mechanism of the Ketenimine-Nitrile-Like Rearrangement Barbary SV, Bryan TR, Gilbert TM Journal of Physical Chemistry A, 123(43), 9413, 2019 |
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Computational Study of Ways by Which exo-Silatranes Might Be Prepared Hoeksema C, Adler MJ, Gilbert TM Journal of Physical Chemistry A, 120(46), 9315, 2016 |
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A Semi-homodesmotic Approach for Estimating Ring Strain Energies (RSEs) of Highly Substituted Cyclopropanes That Minimizes Use of Acyclic References and Cancels Steric Interactions: RSEs for c-C3R6 that Make Sense De Lio AM, Durfey BL, Gille AL, Gilbert TM Journal of Physical Chemistry A, 118(31), 6050, 2014 |
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Application of a Semi-homodesmotic Approach in Estimating Ring Strain Energies (RSEs) of Highly Substituted Cyclobutanes: RSEs for c-C4R8 That Make Sense Gilbert TM Journal of Physical Chemistry A, 118(31), 6060, 2014 |
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Synthesis and Reactivity of the Phosphinoboranes R2PB(C6F5)(2) Geier SJ, Gilbert TM, Stephan DW Inorganic Chemistry, 50(1), 336, 2011 |
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Computational Studies of Lewis Acidities of Tris(fluorophenyl)-Substituted Boranes: An Additive Relationship between Lewis Acidity and Fluorine Position Durfey BL, Gilbert TM Inorganic Chemistry, 50(16), 7871, 2011 |
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Heterolytic Cleavage of Disulfides by Frustrated Lewis Pairs Dureen MA, Welch GC, Gilbert TM, Stephan DW Inorganic Chemistry, 48(20), 9910, 2009 |
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From Classical Adducts to Frustrated Lewis Pairs: Steric Effects in the Interactions of Pyridines and B(C6F5)(3) Geier SJ, Gille AL, Gilbert TM, Stephan DW Inorganic Chemistry, 48(21), 10466, 2009 |
10 |
PCMODEL 9.2 Gille AL, Dutmer BC, Gilbert TM Journal of the American Chemical Society, 131(15), 5714, 2009 |