Search Results - "Warner, Philip M"

Aromaticity and Möbius Antiaromaticity in Monocyclic [11]Annulenium Cations by Warner, Philip M

“…Monocyclic [11]annulenium cations, which are experimentally unknown, have been studied primarily via DFT methods but also with some CCSD(T) validation. We have…”
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Oxa-Enediynes:  Probing the Electronic and Stereoelectronic Contributions to the Bergman Cycloaromatization by Jones, Graham B, Wright, Justin M, Hynd, George, Wyatt, Justin K, Warner, Philip M, Huber, Robert S, Li, Aiwen, Kilgore, Michael W, Sticca, Robert P, Pollenz, Richard S

“…Efficient routes to three classes of 10-membered oxa-enediynes are presented. The electronic and stereoelectronic contributions to half-lives are supported by…”
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Electronic Control of the Bergman Cyclization:  The Remarkable Role of Vinyl Substitution by Jones, Graham B, Warner, Philip M

“…We report an ab initio study of the effect of vinyl substitution on the cycloaromatization of 3-ene-1,5-diynes (the Bergman cyclization). The majority of the…”
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Extended Barbaralanes:  Sigmatropic Shiftamers or σ-Polyacenes? by Tantillo, Dean J, Hoffmann, Roald, Houk, Kendall N, Warner, Philip M, Brown, Eric C, Henze, Daven K

“…Starting from fused barbaralanes, we come (theoretically) to a new class of delocalized molecules in which two polyenyl radical chains interact with each other…”
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Strained bridgehead double bonds by Warner, Philip M

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Halo-Enediynes:  Probing the Electronic and Stereoelectronic Contributions to the Bergman Cycloaromatization by Plourde, Gary W, Warner, Philip M, Parrish, Dennis A, Jones, Graham B

“…A series of halogen-substituted cyclic enediynes were prepared with use of carbenoid coupling strategy. DFT analysis, initially used to identify synthesis…”
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Butalene and Related Compounds:  Aromatic or Antiaromatic? by Warner, Philip M, Jones, Graham B

“…Density functional theory (DFT) has been used to study the first three members of the condensed cyclobutadienoid series, butalene (3), bicyclobutadienylene…”
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On the Mechanism of Quinone Formation from the Bergman Cyclization:  Some Theoretical Insights by Jones, Graham B, Warner, Philip M

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Ab Initio Calculations on Heteroatomic Systems Using Density Functional Theory and Diffuse Basis Functions by Warner, Philip M

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DNA cleavage by aromatic amines by Warner, Philip M., Qi, Jiwei, Meng, Bin, Li, Gang, Xie, Longfei, El-Shafey, Ahmed, Jones, Graham B.

“…A series of aryl amines was found to induce cleavage of DNA. Subsequent refinement led to an efficient family of dimeric derivatives capable of cleavage at low…”
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Fullerenes vs Fulleroids: Understanding Their Relative Energies by Warner, Philip M

“…Both force-field (MMPI) and AMI (restricted and unrestricted HF) calculations are herein used to investigate the underlying reasons for the fullerene-fulleroid…”
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Synthesis of a Directly Connected Thiazole−Oxazole Ring System Present in Microcin B17 by Li, Gang, Warner, Philip M, Jebaratnam, David J

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Electrophilic carbenoids. Formation and trapping of an anti-Bredt vinyllithium by Warner, Philip M, Chang, Suae-Chen, Koszewski, Nicholas J

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General approach to the synthesis of bridgehead-bridgehead disubstituted bicyclo[n.1.1]alkanes by Warner, Philip M, Chen, Bing-Lin, Wada, Eiji

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Propellanes. 13. Magnitude of the norcaradiene-cycloheptatriene energy difference by Warner, Philip M, Lu, Shih-Lai

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Carbene insertion into methanol: a case of reversible ylide formation by Warner, Philip M, Chu, I Shan

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Homoaromatic delocalization in the transition state for norcaradiene formation by Bertsch, Achim, Grimme, Wolfram, Reinhardt, Gerd, Rose, Hermann, Warner, Philip M

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Noninterconverting stereoisomeric bicyclo[4.4.1] bridgehead alkenes by Warner, Philip M, Ah-King, Marie, Palmer, Richard F

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Propellanes. 17. Bridgehead olefins via solvolysis of 10,10-dibromo[4.3.1]propellanes by Warner, Philip M, Lu, Shih-Lai, Myers, Elaine, DeHaven, Patrick W, Jacobson, Robert A

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Some reactions of lithium .alpha.-lithiocyclopropanecarboxylate by Warner, Philip M, Le, Diem

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