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Results: 1-10 |
Results: 10
A mechanistic study of the reactions of H, O ((3)p), and OH with monocyclic aromatic hydrocarbons by density functional theory
Authors: Barckholtz, C Barckholtz, TA Hadad, CM
Citation: C. Barckholtz et al., A mechanistic study of the reactions of H, O ((3)p), and OH with monocyclic aromatic hydrocarbons by density functional theory, J PHYS CH A, 105(1), 2001, pp. 140-152
The Jahn-Teller and related effects in the cyclopentadienyl radical. I. The ab initio calculation of spectroscopically observable parameters
Authors: Applegate, BE Miller, TA Barckholtz, TA
Citation: Be. Applegate et al., The Jahn-Teller and related effects in the cyclopentadienyl radical. I. The ab initio calculation of spectroscopically observable parameters, J CHEM PHYS, 114(11), 2001, pp. 4855-4868
MEKC with bile salt micelles for the enantiomeric separation of bis(8-((pyridine-2-methylene)amino) quinoline) iron(II) hexafluorophosphate: Kineticsand mechanism of the racemization
Authors: Okerberg, ES Elshihabi, S Carmichael, PT Woody, KA Barckholtz, TA Burke, JA Bushey, MM
Citation: Es. Okerberg et al., MEKC with bile salt micelles for the enantiomeric separation of bis(8-((pyridine-2-methylene)amino) quinoline) iron(II) hexafluorophosphate: Kineticsand mechanism of the racemization, J MICROCOL, 12(7), 2000, pp. 391-397
Density functional calculations of dinuclear organometallic carbonyl complexes. Part I: metal-metal and metal-CO bond energies
Authors: Barckholtz, TA Bursten, BE
Citation: Ta. Barckholtz et Be. Bursten, Density functional calculations of dinuclear organometallic carbonyl complexes. Part I: metal-metal and metal-CO bond energies, J ORGMET CH, 596(1-2), 2000, pp. 212-220
The calculation of spectroscopic Jahn-Teller parameters by ab initio methods
Authors: Barckholtz, TA Miller, TA
Citation: Ta. Barckholtz et Ta. Miller, The calculation of spectroscopic Jahn-Teller parameters by ab initio methods, J PHYS CH A, 103(14), 1999, pp. 2321-2336
Jahn-Teller coupling in the (X)over-tilde(2)E ground states of the CF3O and CF3S radicals
Authors: Barckholtz, TA Yang, MC Miller, TA
Citation: Ta. Barckholtz et al., Jahn-Teller coupling in the (X)over-tilde(2)E ground states of the CF3O and CF3S radicals, MOLEC PHYS, 97(1-2), 1999, pp. 239-254
The fluorescence depletion spectroscopy of CdCH3
Authors: Pushkarsky, MB Barckholtz, TA Miller, TA
Citation: Mb. Pushkarsky et al., The fluorescence depletion spectroscopy of CdCH3, J CHEM PHYS, 110(4), 1999, pp. 2016-2028
C-H and N-H bond dissociation energies of small aromatic hydrocarbons
Authors: Barckholtz, C Barckholtz, TA Hadad, CM
Citation: C. Barckholtz et al., C-H and N-H bond dissociation energies of small aromatic hydrocarbons, J AM CHEM S, 121(3), 1999, pp. 491-500
ZEKE spectroscopy of the organometallic radicals MgCH3 and ZnCH3: Construction of a high-resolution "experimental" molecular orbital diagram
Authors: Barckholtz, TA Powers, DE Miller, TA Bursten, BE
Citation: Ta. Barckholtz et al., ZEKE spectroscopy of the organometallic radicals MgCH3 and ZnCH3: Construction of a high-resolution "experimental" molecular orbital diagram, J AM CHEM S, 121(11), 1999, pp. 2576-2584
Quantitative insights about molecules exhibiting Jahn-Teller and related effects
Authors: Barckholtz, TA Miller, TA
Citation: Ta. Barckholtz et Ta. Miller, Quantitative insights about molecules exhibiting Jahn-Teller and related effects, INT R PH CH, 17(4), 1998, pp. 435-524
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