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George L. Heard, Ph.D. - Publications

Affiliations: 
1999- Chemistry University of North Carolina at Asheville 
Area:
Inorganic and computational chemistry
Website:
https://chemistry.unca.edu/faces/dr-george-heard
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38 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 Brown TM, Gillespie BR, Rothrock MM, Ranieri AJ, Schueneman MK, Heard GL, Setser DW, Holmes BE. Unimolecular HBr and HF Elimination Reactions of Vibrationally Excited CHCHBr and CDCHFBr: Identification of the 1,1-HBr Elimination Reaction from CDCHFBr and Search for the CD(F)C:HBr Adduct. The Journal of Physical Chemistry. A. PMID 31513404 DOI: 10.1021/Acs.Jpca.9B07029  0.576
2019 Gillespie BR, Patel CA, Rothrock MM, Heard GL, Setser DW, Holmes BE. Experimental and Computational Studies of Unimolecular 1,1-HX (X = F, Cl) Elimination Reactions of CDCHFCl: The Role of Carbene:HF and HCl Adducts in the Exit Channel of RCHFCl and RCHCl Reactions. The Journal of Physical Chemistry. A. PMID 30841697 DOI: 10.1021/Acs.Jpca.9B00779  0.568
2018 Brown TM, Gillespie BR, Smith CA, Nestler MJ, Heard GL, Setser DW, Holmes BE. Analysis of the Five Unimolecular Reaction Pathways of CDClCHFCl with Emphasis on CDCl(F)C: and CDCl(Cl)C: Formed by 1,1-HCl and 1,1-HF Elimination. The Journal of Physical Chemistry. A. PMID 30261723 DOI: 10.1021/Acs.Jpca.8B06680  0.573
2017 Smith CA, Gillespie BR, Heard GL, Setser DW, Holmes BE. The Unimolecular Reactions of CF3CHF2 Studied by Chemical Activation: Assignment of Rate Constants and Threshold Energies to the 1,2-H-Atom Transfer, 1,1-HF Elimination and 1,2-HF Elimination Reactions and the Dependence of Threshold Energies on the Number of F-Atom Substituents in the Fluoroethane Molecules. The Journal of Physical Chemistry. A. PMID 28926250 DOI: 10.1021/Acs.Jpca.7B06769  0.571
2016 Smith CA, Heard GL, Setser DW, Holmes BE. Reinvestigation of the Unimolecular Reactions of CHF2CHF2: Identification of the 1,1-HF Elimination Component from Addition of CHF2CF to trans-2-Butene. The Journal of Physical Chemistry. A. PMID 27798960 DOI: 10.1021/Acs.Jpca.6B07744  0.546
2016 Larkin AC, Nestler MJ, Smith CA, Heard GL, Setser DW, Holmes BE. A Chemical Activation Study of the Unimolecular Reactions of CD3CD2CHCl2 and CHCl2CHCl2 with Analysis of the 1,1-HCl Elimination Pathway. The Journal of Physical Chemistry. A. PMID 27690445 DOI: 10.1021/Acs.Jpca.6B07368  0.58
2016 Kim J, Brandt LM, Heard GL, Holmes BE. Computational study of the threshold energy for the 1,2-interchange of X and R (X, R = halogens, pseudohalogens, and monovalent hydrocarbon groups) on CH2XCH2R Canadian Journal of Chemistry. 94: 1038-1043. DOI: 10.1139/Cjc-2016-0293  0.441
2015 Brown TM, Nestler MJ, Rossabi SM, Heard GL, Setser DW, Holmes BE. Characterization of the 1,1-HCl Elimination Reaction of Vibrationally Excited CD3CHFCl Molecules and Assignment of Threshold Energies for 1,1-HCl and 1,2-DCl plus 1,1-HF and 1,2-DF Elimination Reactions. The Journal of Physical Chemistry. A. 119: 9441-51. PMID 26291380 DOI: 10.1021/Acs.Jpca.5B06638  0.548
2015 Wormack LN, McGreal ME, McClintock CE, Heard GL, Setser DW, Holmes BE. Characterization of the 1,1-HF Elimination Reaction from the Competition between the 1,1-HF and 1,2-DF Unimolecular Elimination Reactions of CD3CD2CHF2. The Journal of Physical Chemistry. A. 119: 3887-96. PMID 25850812 DOI: 10.1021/Acs.Jpca.5B01129  0.549
2015 Rossabi SM, Smith KC, Heard GL, Holmes BE. Unimolecular Rate Constants for the HF and HCl Elimination Reactions from Chemically Activated CF2ClSH International Journal of Chemical Kinetics. DOI: 10.1002/Kin.20915  0.545
2014 Turpin MA, Smith KC, Heard GL, Setser DW, Holmes BE. Unimolecular reactions of 1,1,1-trichloroethane, 1,1,1-trichloropropane, and 3,3,3-trifluoro-1,1,1-trichloropropane: determination of threshold energies by chemical activation. The Journal of Physical Chemistry. A. 118: 9347-56. PMID 25203415 DOI: 10.1021/Jp507788V  0.587
2014 McClintock CE, Smith KC, Heard GL, Setser DW, Holmes BE. Effects of CF(3) and CH(3) groups on the threshold energy for the unimolecular interchange reaction of Cl- and F-atoms in CF(3)CHFCH(2)Cl and CH(3)CHFCH(2)Cl. The Journal of Physical Chemistry. A. 118: 2886-96. PMID 24654826 DOI: 10.1021/Jp412299P  0.577
2013 Tucker MK, Rossabi SM, McClintock CE, Heard GL, Setser DW, Holmes BE. Unimolecular isomerization of CH2FCD2Cl via the interchange of Cl and F atoms: assignment of the threshold energy to the 1,2-dyotropic rearrangement. The Journal of Physical Chemistry. A. 117: 6717-23. PMID 23837645 DOI: 10.1021/Jp4032767  0.597
2012 Solaka SA, Boshamer SE, Parworth CL, Heard GL, Setser DW, Holmes BE. Isomerisation of CF2ClCH2Cl and CFCl2CH2F by interchange of Cl and F atoms with analysis of the unimolecular reactions of both molecules. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 13: 869-78. PMID 22287121 DOI: 10.1002/Cphc.201100568  0.553
2011 Parworth CL, Tucker MK, Holmes BE, Heard GL. QTAIM analysis of the HF, HCl, HBr, and HOH elimination reactions of halohydrocarbons and halohydroalcohols. The Journal of Physical Chemistry. A. 115: 13133-8. PMID 21967599 DOI: 10.1021/Jp2053458  0.469
2010 Duncan JR, Heard GL, Holmes BE. Theoretical investigation of 1,2-interchange of a chlorine atom and methyl group in 1,1-dichloroacetone. The Journal of Physical Chemistry. A. 114: 12992-7. PMID 21105681 DOI: 10.1021/Jp1072582  0.49
2010 Lisowski CE, Duncan JR, Ranieri AJ, Heard GL, Setser DW, Holmes BE. Isomerization of neopentyl chloride and neopentyl bromide by a 1,2-Interchange of a halogen atom and a methyl group Journal of Physical Chemistry A. 114: 10395-10402. PMID 20809644 DOI: 10.1021/Jp1047166  0.507
2010 Friederich L, Duncan JR, Heard GL, Setser DW, Holmes BE. Unimolecular reactions of CH(2)BrCH(2)Br, CH(2)BrCH(2)Cl, and CH(2)BrCD(2)Cl: identification of the Cl-Br interchange reaction. The Journal of Physical Chemistry. A. 114: 4138-47. PMID 20218724 DOI: 10.1021/Jp9116134  0.519
2010 Everett WC, Holmes BE, Heard GL. A computational study of the threshold energies of the 1,2-FCl interchange reaction of chlorofluoroethanes Canadian Journal of Chemistry. 88: 1112-1117. DOI: 10.1139/V10-088  0.304
2010 Friederich L, Duncan JR, Heard GL, Setser DW, Holmes BE. Unimolecular reactions of CH2BrCH2Br, CH 2BrCH2Cl, and CH2BrCD2Cl: Identification of the Cl-Br interchange reaction Journal of Physical Chemistry A. 114: 4138-4147. DOI: 10.1021/jp9116134  0.348
2009 Ferguson HA, Parworth CL, Holloway TB, Midgett AG, Heard GL, Setser DW, Holmes BE. Characterization of the unimolecular water elimination reaction from 1-propanol, 3,3,3-propan-1-ol-d3, 3,3,3-trifluoropropan-1-ol, and 3-chloropropan-1-ol. The Journal of Physical Chemistry. A. 113: 10013-23. PMID 19702256 DOI: 10.1021/Jp905012R  0.575
2008 Zaluzhna O, Simmons JG, Heard GL, Setser DW, Holmes BE. Unimolecular elimination of HF and HCl from chemically activated CF3CFClCH2Cl. The Journal of Physical Chemistry. A. 112: 6090-7. PMID 18553952 DOI: 10.1021/Jp800488Q  0.592
2008 Lisowski CE, Duncan JR, Heard GL, Setser DW, Holmes BE. Unimolecular reactions of chemically activated CF2BrCF2CH3 and CF2BrCF2CD3: evidence for 1,2-FBr interchange. The Journal of Physical Chemistry. A. 112: 441-7. PMID 18161953 DOI: 10.1021/Jp0758364  0.544
2008 Lisowski CE, Duncan JR, Heard GL, Setser DW, Holmes BE. Unimolecular reactions of chemically activated CF2BrCF 2CH3 and CF2BrCF2CD3: Evidence for 1,2-FBr interchange Journal of Physical Chemistry A. 112: 441-447. DOI: 10.1021/jp0758364  0.315
2007 Beaver MR, Simmons JG, Heard GL, Setser DW, Holmes BE. Unimolecular reactions including ClF interchange of vibrationally excited CF2ClCHFCH2CH3 and CF2ClCHFCD2CD3. The Journal of Physical Chemistry. A. 111: 8445-55. PMID 17685496 DOI: 10.1021/Jp071837K  0.444
2007 Burgin MO, Jr JG, Heard GL, Setser DW, Holmes BE. Unimolecular reactions of vibrationally excited CF2ClCHFCH3 and CF2ClCHFCD3: evidence for the 1,2-FCl interchange pathway. The Journal of Physical Chemistry. A. 111: 2283-92. PMID 17388315 DOI: 10.1021/Jp066722F  0.504
2005 Ferguson JD, Johnson NL, Kekenes-Huskey PM, Everett WC, Heard GL, Setser DW, Holmes BE. Unimolecular rate constants for HX or DX elimination (X = F, Cl) from chemically activated CF3CH2CH2Cl, C2H5CH2Cl, and C2D5CH2Cl: threshold energies for HF and HCl elimination. The Journal of Physical Chemistry. A. 109: 4540-51. PMID 16833790 DOI: 10.1021/jp040735g  0.349
2003 Beaver MR, Heard GL, Holmes BE. Theoretical calculations of product percentage yields for the thermal decomposition of 2-chloro-1,1-difluoroethene Tetrahedron Letters. 44: 7265-7268. DOI: 10.1016/S0040-4039(03)01883-5  0.474
2001 Heard GL, Holmes BE. 1,2-FCl rearrangement as an intermediate step in the unimolecular 1,3-HCI elimination from chlorofluoropropanesf Journal of Physical Chemistry A. 105: 1622-1625. DOI: 10.1021/Jp0025126  0.491
2001 Burgin MO, Heard GL, Martell JM, Holmes BE. Unimolecular reaction kinetics of CF2ClCF2CH3 and CF2ClCF2CD3: Experimental evidence for a novel 1,2-FCl rearrangement pathway Journal of Physical Chemistry A. 105: 1615-1621. DOI: 10.1021/Jp002511D  0.382
2001 Molina J, Dobado JA, Heard GL, Bader RFW, Sundberg MR. Recognizing a triple bond between main group atoms Theoretical Chemistry Accounts. 105: 365-373. DOI: 10.1007/S002140000232  0.371
2000 Mora-Diez N, Boyd RJ, Heard GL. Effects of alkyl substituents on the excited states of naphthalene: Semiempirical study Journal of Physical Chemistry A. 104: 1020-1029. DOI: 10.1021/Jp993228L  0.366
2000 Heard GL, Gillespie RJ, Rankin DWH. Ligand close packing and the geometries of A(XY)4 and some related molecules Journal of Molecular Structure. 520: 237-248. DOI: 10.1016/S0022-2860(99)00335-X  0.382
1999 Rowsell BD, Gillespie RJ, Heard GL. Ligand Close-Packing and the Lewis Acidity of BF(3) and BCl(3). Inorganic Chemistry. 38: 4659-4662. PMID 11671188 DOI: 10.1021/Ic990713M  0.413
1999 Robinson EA, Heard GL, Gillespie RJ. The importance of ligand-ligand interactions in determining molecular geometry: The ligand close packing model Journal of Molecular Structure. 485: 305-319. DOI: 10.1016/S0022-2860(99)00051-4  0.347
1998 Gillespie RJ, Robinson EA, Heard GL. Bonding and Geometry of OCF(3)(-), ONF(3), and Related Molecules in Terms of the Ligand Close Packing Model. Inorganic Chemistry. 37: 6884-6889. PMID 11670825 DOI: 10.1021/Ic981037B  0.345
1997 Heard GL, Boyd RJ. Calculation of quadrupole moments of polycyclic aromatic hydrocarbons: Applications to chromatography Journal of Physical Chemistry A. 101: 5374-5377. DOI: 10.1021/Jp970572E  0.365
1996 Heard GL, Yates BF. Competing Rearrangements of Ammonium Ylides: A Quantum Theoretical Study. The Journal of Organic Chemistry. 61: 7276-7284. PMID 11667650  0.367
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