Carl Otis Trindle - Publications

University of Virginia, Charlottesville, VA 

57 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Livshits MY, Turlington MD, Trindle CO, Wang L, Altun Z, Wagenknecht PS, Rack JJ. Picosecond to Nanosecond Manipulation of Excited-State Lifetimes in Complexes with an Fe to Ti Metal-to-Metal Charge Transfer: The Role of Ferrocene Centered Excited States. Inorganic Chemistry. 58: 15320-15329. PMID 31686500 DOI: 10.1021/Acs.Inorgchem.9B02316  0.304
2019 Altun Z, Bleda EA, Trindle C. A case study of antiaromaticity: carbomethoxy cyclopropenyl anion Turkish Journal of Chemistry. 43: 594-611. DOI: 10.3906/Kim-1808-58  0.334
2017 Liu Z, Trindle CO, Gu Q, Wu W, Su P. Unravelling hydrogen bonding interactions of tryptamine-water dimer from neutral to cation. Physical Chemistry Chemical Physics : Pccp. PMID 28799587 DOI: 10.1039/C7Cp03491A  0.321
2017 Gu Q, Su P, Xia Y, Yang Z, Trindle CO, Knee JL. Quantitative probing of subtle interactions among H-bonds in alpha hydroxy carboxylic acid complexes. Physical Chemistry Chemical Physics : Pccp. PMID 28722036 DOI: 10.1039/C7Cp03917D  0.306
2017 Altun Z, Bleda E, Trindle C. Single metal catalysis: DFT and CAS modelling of species involved in the Fe cation assisted transformation of acetylene to benzene Molecular Physics. 115: 2185-2200. DOI: 10.1080/00268976.2016.1274440  0.314
2016 Gu Q, Tang Z, Su P, Wu W, Yang Z, Trindle CO, Knee JL. Communication: Physical origins of ionization potential shifts in mixed carboxylic acids and water complexes. The Journal of Chemical Physics. 145: 051101. PMID 27497532 DOI: 10.1063/1.4959970  0.314
2016 Chen X, Xu C, Wang T, Zhou C, Du J, Wang Z, Xu H, Xie T, Bi G, Jiang J, Zhang X, Demas JN, Trindle CO, Luo Y, Zhang G. Versatile Room-Temperature-Phosphorescent Materials Prepared from N-Substituted Naphthalimides: Emission Enhancement and Chemical Conjugation. Angewandte Chemie (International Ed. in English). PMID 27385550 DOI: 10.1002/Anie.201601252  0.32
2016 Turlington MD, Pienkos JA, Carlton ES, Wroblewski KN, Myers AR, Trindle CO, Altun Z, Rack JJ, Wagenknecht PS. Complexes with Tunable Intramolecular Ferrocene to Ti(IV) Electronic Transitions: Models for Solid State Fe(II) to Ti(IV) Charge Transfer. Inorganic Chemistry. PMID 26881903 DOI: 10.1021/Acs.Inorgchem.5B02587  0.311
2016 Pienkos JA, Agakidou AD, Trindle CO, Herwald DW, Altun Z, Wagenknecht PS. Titanocene as a New Acceptor (A) for Arylamine Donors (D) in D−π–A Chromophores Organometallics. 35: 2575-2578. DOI: 10.1021/Acs.Organomet.6B00518  0.302
2016 Şahin S, Bleda EA, Altun Z, Trindle C. Computational characterization of isomeric C4H2O systems: Thermochemistry, vibrational frequencies, and optical spectra for butatrienone, ethynyl ketene, butadiynol, and triafulvenone International Journal of Quantum Chemistry. 116: 444-451. DOI: 10.1002/Qua.25063  0.316
2015 Yang Z, Gu Q, Trindle CO, Knee JL. Influences of the propyl group on the van der Waals structures of 4-propylaniline complexes with one and two argon atoms studied by electronic and cationic spectroscopy. The Journal of Chemical Physics. 143: 034308. PMID 26203028 DOI: 10.1063/1.4927004  0.31
2015 Bleda EA, Trindle C, Altun Z. Studies on spin state preferences in Fe(II) complexes Computational and Theoretical Chemistry. 1073: 139-148. DOI: 10.1016/J.Comptc.2015.09.011  0.326
2014 Gu Q, Trindle CO, Knee JL. Electronic and cationic spectroscopy of 9-hydroxy-9-fluorene carboxylic acid. The Journal of Physical Chemistry. A. 118: 4982-7. PMID 24956485 DOI: 10.1021/Jp5045578  0.311
2014 Altun Z, Bleda EA, Trindle C, Wang J. Thermochemistry of N-heterocyclic carbenes with 5-, 4-, 3-, and 2-membered rings International Journal of Quantum Chemistry. 114: 675-687. DOI: 10.1002/Qua.24654  0.305
2014 Çiftcioğlu GA, Trindle C. Computational estimates of thermochemistry and pKa values of cyclopropenyl imine superbases International Journal of Quantum Chemistry. 114: 392-399. DOI: 10.1002/Qua.24576  0.314
2013 Xu S, Evans RE, Liu T, Zhang G, Demas JN, Trindle CO, Fraser CL. Aromatic difluoroboron β-diketonate complexes: effects of Ï€-conjugation and media on optical properties. Inorganic Chemistry. 52: 3597-610. PMID 23510181 DOI: 10.1021/Ic300077G  0.331
2013 Bleda EA, Yavuz I, Altun Z, Trindle C. Computational thermochemistry of glycolaldehyde International Journal of Quantum Chemistry. 113: 1147-1154. DOI: 10.1002/Qua.24200  0.326
2012 Gu Q, Trindle C, Knee JL. Communication: Frequency shifts of an intramolecular hydrogen bond as a measure of intermolecular hydrogen bond strengths. The Journal of Chemical Physics. 137: 091101. PMID 22957541 DOI: 10.1063/1.4752246  0.32
2011 Duca M, Trindle CO, Hecht SM. Structural basis for the exceptional stability of bisaminoacylated nucleotides and transfer RNAs. Journal of the American Chemical Society. 133: 11368-77. PMID 21648486 DOI: 10.1021/Ja203994E  0.327
2011 Harrison DP, Nichols-Nielander AC, Zottig VE, Strausberg L, Salomon RJ, Trindle CO, Sabat M, Gunnoe TB, Iovan DA, Myers WH, Harman WD. Hyperdistorted tungsten allyl complexes and their stereoselective deprotonation to form dihapto-coordinated dienes Organometallics. 30: 2587-2597. DOI: 10.1021/Om200183M  0.323
2009 Salomon RJ, Lis EC, Kasbekar MU, Bassett KC, Myers WH, Trindle CO, Sabat M, Harman WD. Stereoelectronic effects in dihapto-coordinated complexes of TpW (NO)(PMe 3) and their manifestation in diels - Alder cycloaddition of arenes Organometallics. 28: 4724-4734. DOI: 10.1021/Om900381C  0.331
2009 Trindle C, Altun Z. Circular dichroism of some high-symmetry chiral molecules: B3LYP and SAOP calculations Theoretical Chemistry Accounts. 122: 145-155. DOI: 10.1007/S00214-008-0494-8  0.315
2009 Pamuk HÖ, Trindle C. Semiempirical estimation of correlation energy corrections to ionization potentials and dissociation energies for open-shell systems International Journal of Quantum Chemistry. 14: 271-282. DOI: 10.1002/Qua.560140821  0.306
2009 Trindle C, Halevi EA. Spin-forbidden reaction pathways in the interaction of singlet and triplet molecular oxygen with acetylene International Journal of Quantum Chemistry. 14: 281-290. DOI: 10.1002/Qua.560140727  0.343
2009 Trindle C, Bouman TD. Nuclear spin statistics in fluxional molecules International Journal of Quantum Chemistry. 7: 329-335. DOI: 10.1002/Qua.560070740  0.346
2009 Trindle C, Lert PW. Floating spherical gaussian calculations on systems of protons and electrons International Journal of Quantum Chemistry. 5: 329-340. DOI: 10.1002/Qua.560050838  0.32
2009 Trindle C, Collins FS. Energy-based formalism for the mapping analysis of concerted reactions International Journal of Quantum Chemistry. 5: 195-204. DOI: 10.1002/Qua.560050721  0.321
2007 Delafuente DA, Kosturko GW, Graham PM, Harman WH, Myers WH, Surendranath Y, Klet RC, Welch KD, Trindle CO, Sabat M, Harman WD. Isomerization dynamics and control of the eta2/N equilibrium for pyridine complexes. Journal of the American Chemical Society. 129: 406-16. PMID 17212421 DOI: 10.1021/Ja066623F  0.321
2007 Liu W, Welch K, Trindle CO, Sabat M, Myers WH, Harman WD. Facile intermolecular aryl-F bond cleavage in the presence of aryl C-H bonds: Is the η2-arene intermediate bypassed? Organometallics. 26: 2589-2597. DOI: 10.1021/Om070099J  0.341
2005 Trindle C. Post-Hartree-Fock studies on the structure of bis(ortho-substituted phenyl)methylenes. Journal of Physical Chemistry A. 109: 898-904. PMID 16838962 DOI: 10.1021/Jp0473467  0.302
2005 Harman WD, Trindle C. Charge donation to and dearomatization of benzene attending complexation: DFT estimates of binding energies of TpMXO(L) with benzene, for Tp = hydridotris(pyrazolyl) borate, MXO = MoNO, ReCO, and WNO, and L = ammonia, N-methylimidazole, pyridine, phosphine, methyl isocyanide, and carbon monoxide. Journal of Computational Chemistry. 26: 194-200. PMID 15593348 DOI: 10.1002/Jcc.20155  0.301
2004 Ding F, Valahovic MT, Keane JM, Anstey MR, Sabat M, Trindle CO, Harman WD. Diastereo- and enantioselective dearomatization of rhenium-bound naphthalenes. The Journal of Organic Chemistry. 69: 2257-67. PMID 15049617 DOI: 10.1021/Jo030318K  0.343
2003 Trindle C. DFT studies of biarylcarbenes and the carbene-biradical continuum. Journal of Organic Chemistry. 68: 9669-9677. PMID 14656093 DOI: 10.1021/Jo034753Q  0.361
2003 Shillady DD, Castevens CM, Trindle C, Sulik J, Klonowski P. Conformational complexity of melatonin in water and methanol. Biophysical Chemistry. 105: 471-94. PMID 14499912 DOI: 10.1016/S0301-4622(03)00109-1  0.314
2003 Trindle C. Spin preference in twenty‐valence electron systems of form XCCY International Journal of Quantum Chemistry. 93: 286-293. DOI: 10.1002/Qua.10558  0.347
2003 Trindle C, Sacks G, Harman WD. Computational modeling of complexes of penta-ammine osmium (II) with aromatic ligands International Journal of Quantum Chemistry. 92: 457-469. DOI: 10.1002/Qua.10512  0.326
2000 Bare WD, Citra A, Trindle C, Andrews L. Matrix infrared spectroscopic study of magnesium carbene and carbenoid radicals and analysis of their bonding with density functional calculations. Inorganic Chemistry. 39: 1204-15. PMID 12526412 DOI: 10.1021/Ic991229M  0.361
1999 Trindle C, Braiman M, Prager AB. Modeling vibrational spectra of amino acid side chains in proteins: Effects of chloride and bromide counterions on ethylguanidino vibrational frequencies International Journal of Quantum Chemistry. 74: 291-297. DOI: 10.1002/(Sici)1097-461X(1999)74:3<291::Aid-Qua2>3.0.Co;2-A  0.324
1998 Trindle C, Romberg K. Reactions of HSCH2 Radical with O2, NO, and NO2: Ab Initio Calculations of Enthalpies of Reaction Journal of Physical Chemistry A. 102: 270-273. DOI: 10.1021/Jp972768K  0.3
1997 Trindle C, Datta SN, Mallik B. Phenylene Coupling of Methylene Sites. The Spin States of Bis(X−methylene)-p-phenylenes and Bis(chloromethylene)-m-phenylene Journal of the American Chemical Society. 119: 12947-12951. DOI: 10.1021/Ja9704139  0.597
1996 Trindle C, Datta SN. Molecular orbital studies on the spin states of nitroxide species: Bis‐ and trisnitroxymetaphenylene, 1,1‐bisnitroxyphenylethylene, and 4,6‐dimethoxy‐1,3‐dialkylnitroxy‐benzenes International Journal of Quantum Chemistry. 57: 781-799. DOI: 10.1002/(Sici)1097-461X(1996)57:4<781::Aid-Qua26>3.0.Co;2-1  0.584
1988 Trindle C. Small scale variational scheme incorporating local orbitals with fully flexible hybridization: A local orbital reconstruction of Walsh's rules Journal of Molecular Structure-Theochem. 169: 273-287. DOI: 10.1016/0166-1280(88)80265-3  0.347
1987 Davis SR, Andrews L, Trindle CO. Infrared spectra and UHF SCF calculations of HF complexes with NO, (NO)2, and NO2 Journal of Chemical Physics. 86: 6027-6033. DOI: 10.1063/1.452490  0.339
1983 Kasney M, Pamuk HÖ, Trindle C. A MINDO/3 study of the properties of the ground state dioxetanone molecule and its dissociation potential energy surgace into (CH2O + CO2) Journal of Molecular Structure-Theochem. 104: 459-470. DOI: 10.1016/0166-1280(83)80196-1  0.325
1980 Trindle C, Datta SN. Nonrigid molecular behaviour of beryllium borohydride I. INDO study Journal of Chemical Sciences. 89: 175-181. DOI: 10.1007/Bf02893002  0.56
1977 Datta SN, Duncan CD, Pamuk HO, Trindle C. Rates of spin-forbidden organic reactions. Theoretical study of the rate of direct production of triplet methylene by dissociation of singlet diazomethane The Journal of Physical Chemistry. 81: 923-928. DOI: 10.1021/J100524A024  0.573
1977 Trindle C, Datta SN, Bouman TD. Nonrigid molecule effects on the energy levels of XeF6 International Journal of Quantum Chemistry. 11: 627-664. DOI: 10.1002/Qua.560110409  0.582
1977 Bouman TD, Duncan CD, Trindle C. Group theory and reaction mechanisms: Permutation theoretic prediction and computational support for pseudorotation modes in C2H 5+ and C5H 5+ rearrangements International Journal of Quantum Chemistry. 11: 399-413. DOI: 10.1002/Qua.560110304  0.306
1976 Shillady DD, Trindle C. Semiempirical description of the C6H5N reactive intermediate in phenyl azide photolysis Theoretica Chimica Acta. 43: 137-144. DOI: 10.1007/Bf00547253  0.326
1976 Trindle C, George JK. Integral Hellmann-Feynman computations on H3ABHn—H2ABHn+1 rearrangements International Journal of Quantum Chemistry. 10: 21-35. DOI: 10.1002/Qua.560100104  0.314
1975 Alston PV, Shillady DD, Trindle C. Semiempirical natural orbitals. CNDO/2-NO [natural orbital] and INDO-NO analysis of charge densities, dipole moments, and rotational barriers in small molecules Journal of the American Chemical Society. 97: 469-476. DOI: 10.1021/Ja00836A001  0.318
1975 Trindle C, Weiss LC. Lewis orbital models of diborane(6), methylborane, and ethyl(1+) cation The Journal of Physical Chemistry. 79: 2435-2439. DOI: 10.1021/J100589A019  0.301
1975 Bouman TD, Trindle C. Group-theoretical analysis of carbonium ion rearrangements: The barbaralyl cation Theoretical Chemistry Accounts. 37: 217-231. DOI: 10.1007/Bf00548091  0.304
1975 Alston PV, Shillady DD, Trindle C. Semiempirical Natural Orbitals, Cndo/2-No And Indo-No Analysis Of Charge Densities, Dipole Moments And Rotational Barriers In Small Molecules (Aethylen, Hcho, Hcooh, Nh3 Und H2O) Cheminform. 6. DOI: 10.1002/Chin.197516103  0.318
1973 Trindle C, Hwang J, Carey FA. CNDO-MO [complete neglect of differential overlap-molecular orbital] exploration of concerted and stepwise pathways for the Wittig and Peterson olefination reactions The Journal of Organic Chemistry. 38: 2664-2669. DOI: 10.1021/Jo00955A020  0.306
1973 Trindle C, Shillady DD. Ab initio Gaussian lobe self-consistent field computations on the interconversion of ammonium oxide with hydroxylamine, and implications for the rearrangements of substituted hydroxylamines Journal of the American Chemical Society. 95: 703-707. DOI: 10.1021/Ja00784A010  0.305
1972 Shillady DD, Trindle C. The shapes of three hypervalent systems of first‐row atoms FH3, H4o, and F3H International Journal of Quantum Chemistry. 6: 187-200. DOI: 10.1002/Qua.560060620  0.341
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