| Year |
Citation |
Score |
| 2019 |
Turan IM, Ball DW. Structures and Energetics of NI and N I. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 30756443 DOI: 10.1002/Cphc.201900007 |
0.318 |
|
| 2018 |
Edgehouse KJ, Ball DW. Nitro derivatives of triazetidine: potential high energy density materials. Journal of Molecular Modeling. 24: 189. PMID 29971576 DOI: 10.1007/S00894-018-3733-5 |
0.431 |
|
| 2018 |
Martin WR, Ball DW. Small organic fulminates as high energy materials. Fulminates of acetylene, ethylene, and allene Journal of Energetic Materials. 37: 70-79. DOI: 10.1080/07370652.2018.1531089 |
0.357 |
|
| 2017 |
Psarras PC, Wilcox J, Ball DW. Effect of Ag and Pd promotion on CH4 selectivity in Fe(100) Fischer-Tröpsch catalysis. Physical Chemistry Chemical Physics : Pccp. PMID 28165069 DOI: 10.1039/C6Cp07116C |
0.706 |
|
| 2017 |
Ina LM, Ball DW. Density Functional Theory Calculations on Nitrated Boroxines as Possible High Energy-Density Materials Ohio Journal of Science. 117: 27-34. DOI: 10.18061/Ojs.V117I2.5298 |
0.4 |
|
| 2016 |
Godman NP, Adas SK, Hellwig KM, Ball DW, Balaich GJ, Iacono ST. Synthesis, Electrochemical Characterization, and Linear Free Energy Relationship of 1,3-Diphenyl-6-alkyl/arylfulvenes. The Journal of Organic Chemistry. PMID 27689910 DOI: 10.1021/Acs.Joc.6B01698 |
0.337 |
|
| 2015 |
Psarras PC, Ball DW. DFT/QTAIM analysis of the effect of late transition metal doping on methane selectivity in Fischer-Tröpsch catalysis Computational and Theoretical Chemistry. 1063: 1-9. DOI: 10.1016/J.Comptc.2015.04.004 |
0.721 |
|
| 2014 |
Hepp AF, Kulis MJ, Psarras PC, Ball DW, Timko MT, Wong HW, Peck J, Chianelli RR. Novel catalysts and processing technologies for production of aerospace fuels from non-petroleum raw materials 7th Symposium On Space Resource Utilization. |
0.679 |
|
| 2012 |
Peloquin AJ, Stone RL, Avila SE, Rudico ER, Horn CB, Gardner KA, Ball DW, Johnson JE, Iacono ST, Balaich GJ. Synthesis of 1,3-diphenyl-6-alkyl/aryl-substituted fulvene chromophores: observation of π-π interactions in a 6-pyrene-substituted 1,3-diphenylfulvene. The Journal of Organic Chemistry. 77: 6371-6. PMID 22747487 DOI: 10.1021/Jo301101X |
0.312 |
|
| 2012 |
Lawong AK, Ball DW. Introducing NOB-NOBs: nitrogen-oxygen-boron cycles with potential high-energy properties. Journal of Molecular Modeling. 18: 1723-8. PMID 21833826 DOI: 10.1007/S00894-011-1203-4 |
0.406 |
|
| 2012 |
Lawong AK, Ball DW. BON-BONs: cyclic molecules with a boron-oxygen-nitrogen backbone. Computational studies of their thermodynamic properties. Journal of Molecular Modeling. 18: 1661-6. PMID 21811776 DOI: 10.1007/S00894-011-1193-2 |
0.369 |
|
| 2012 |
Ball DW. Structure and thermodynamic properties of nitroformic acid, nitroformyl nitrate, and ammonium nitroformate Structural Chemistry. 23: 693-701. DOI: 10.1007/S11224-011-9915-8 |
0.394 |
|
| 2012 |
Halstead JM, Whittaker JN, Ball DW. Aminonitrocyclopropanes as possible high-energy materials. Quantum chemical calculations Propellants, Explosives, Pyrotechnics. 37: 498-501. DOI: 10.1002/Prep.201100102 |
0.348 |
|
| 2011 |
Wagner RR, Ball DW. Towards new green high energy materials. Computational chemistry on nitro-substituted urea. Journal of Molecular Modeling. 17: 2965-71. PMID 21318232 DOI: 10.1007/S00894-011-0992-9 |
0.392 |
|
| 2011 |
Brunswick SL, Ball DW. Working towards greener high energy materials. DFT calculations on nitrated 3,6-dihydro-1,2,4,5-tetrazine Computational and Theoretical Chemistry. 963: 154-160. DOI: 10.1016/J.Comptc.2010.10.014 |
0.417 |
|
| 2010 |
Abdelmalik J, Ball DW. DFT calculations on nitrodiborane compounds as new potential high energy materials. Journal of Molecular Modeling. 16: 915-8. PMID 19823882 DOI: 10.1007/S00894-009-0597-8 |
0.449 |
|
| 2010 |
Janning JD, Ball DW. Nitroborazines as potential high energy materials: density functional theoretical calculations. Journal of Molecular Modeling. 16: 857-62. PMID 19774403 DOI: 10.1007/S00894-009-0586-Y |
0.452 |
|
| 2010 |
Stouffer ML, Ball DW. High-Level calculations on nitrosooxyalanes: Possible new high-energy materials? Journal of Energetic Materials. 28: 219-228. DOI: 10.1080/07370650903520764 |
0.437 |
|
| 2010 |
Ball DW. Can PF2OF exist? Journal of Fluorine Chemistry. 131: 78-80. DOI: 10.1016/J.Jfluchem.2009.10.008 |
0.337 |
|
| 2009 |
Mathews KY, Ball DW. Calculated thermochemistry of aminonitroacetylene: a new high-energy material? The Journal of Physical Chemistry. A. 113: 4855-7. PMID 19338324 DOI: 10.1021/Jp901342E |
0.403 |
|
| 2009 |
Richard RM, Ball DW. B3LYP calculations on the thermodynamic properties of a series of nitroxycubanes having the formula C8H8-x(NO3)(x) x=1-8. Journal of Hazardous Materials. 164: 1595-600. PMID 18977597 DOI: 10.1016/J.Jhazmat.2008.09.078 |
0.422 |
|
| 2009 |
Richard RM, Ball DW. Density functional calculations on the thermodynamic properties of a series of nitrosocubanes having the formula C8H8-x(NO)x)x=1-8. Journal of Hazardous Materials. 164: 1552-5. PMID 18819750 DOI: 10.1016/J.Jhazmat.2008.08.057 |
0.417 |
|
| 2009 |
Lawong AK, Ball DW. Highly nitrated cyclopropanes as new high energy materials: DFT calculations on the properties of C3H6-n(NO2)n (n = 3-6) Journal of Molecular Structure: Theochem. 916: 33-36. DOI: 10.1016/J.Theochem.2009.09.001 |
0.438 |
|
| 2009 |
Mathews KY, Ball DW. Computational study of the structures and properties of aminonitroethane molecules Journal of Molecular Structure: Theochem. 902: 15-20. DOI: 10.1016/J.Theochem.2009.02.004 |
0.396 |
|
| 2008 |
Richard RM, Ball DW. Ab initio calculations on the thermodynamic properties of azaborospiropentanes. Journal of Molecular Modeling. 14: 871-8. PMID 18594880 DOI: 10.1007/S00894-008-0329-5 |
0.431 |
|
| 2008 |
Richard RM, Ball DW. Ab initio calculations on the thermodynamic properties of azaspiropentanes. The Journal of Physical Chemistry. A. 112: 2618-27. PMID 18311947 DOI: 10.1021/Jp077411N |
0.447 |
|
| 2008 |
Richard RM, Ball DW. G2, G3, and complete basis set calculations on the thermodynamic properties of triazane. Journal of Molecular Modeling. 14: 29-37. PMID 17962983 DOI: 10.1007/S00894-007-0247-Y |
0.395 |
|
| 2008 |
Richard RM, Ball DW. G2, G3, and complete basis set calculations of the thermodynamic properties of cis- and trans-triazene. Journal of Molecular Modeling. 14: 21-7. PMID 17955270 DOI: 10.1007/S00894-007-0248-X |
0.365 |
|
| 2008 |
Mathews KY, Ball DW. New potential high energy materials: High-level calculations on the properties of aminonitromethanes Journal of Molecular Structure: Theochem. 868: 78-81. DOI: 10.1016/J.Theochem.2008.08.011 |
0.435 |
|
| 2008 |
Brunswick SL, Ball DW. Organic chlorate and perchlorate derivatives as high energy materials: High-level computations on methyl chlorate and methyl perchlorate Journal of Molecular Structure: Theochem. 866: 1-4. DOI: 10.1016/J.Theochem.2008.07.022 |
0.346 |
|
| 2008 |
Richard RM, Ball DW. Enthalpies of formation of nitrobuckminsterfullerenes: Extrapolation to C60(NO2)60 Journal of Molecular Structure: Theochem. 858: 85-87. DOI: 10.1016/J.Theochem.2008.02.030 |
0.372 |
|
| 2008 |
Richard RM, Ball DW. Ab initio calculations on the thermodynamic properties of spiropentane and its boron-containing derivatives Journal of Molecular Structure: Theochem. 851: 284-293. DOI: 10.1016/J.Theochem.2007.11.033 |
0.382 |
|
| 2007 |
Richard RM, Ball DW. G2, G3, and complete basis set calculations of the thermodynamic properties of aminoborane, diaminoborane, and triaminoborane Journal of Molecular Structure: Theochem. 823: 6-15. DOI: 10.1016/J.Theochem.2007.08.015 |
0.453 |
|
| 2007 |
Richard RM, Ball DW. B3LYP, G2, G3, and complete basis set calculations of the thermodynamic properties of small cyclic and chain hydroboranes Journal of Molecular Structure: Theochem. 814: 91-98. DOI: 10.1016/J.Theochem.2007.03.001 |
0.378 |
|
| 2007 |
Tricamo AJ, Knaus KJ, Ball DW. G2, G3, and complete basis set calculations of the thermodynamic properties of two isomers of diazadiboretidine, cyclo-B2N2H4 Journal of Molecular Structure: Theochem. 807: 67-72. DOI: 10.1016/J.Theochem.2006.12.013 |
0.759 |
|
| 2007 |
Richard RM, Ball DW. G2, G3, and complete basis set calculations of optimized geometries, vibrational frequencies, and thermodynamic properties of azatriboretidine and triazaboretidine Journal of Molecular Structure: Theochem. 806: 165-170. DOI: 10.1016/J.Theochem.2006.11.022 |
0.438 |
|
| 2007 |
Richard RM, Ball DW. Optimized geometries, vibrational frequencies, and thermochemical properties of mixed boron- and nitrogen-containing three-membered rings Journal of Molecular Structure: Theochem. 806: 113-120. DOI: 10.1016/J.Theochem.2006.11.018 |
0.376 |
|
| 2006 |
Richard RM, Ball DW. G2, G3, and complete basis set calculations of the thermodynamic properties of boron-containing rings: cyclo-CH2BHNH, 1,2-, and 1,3-cyclo-C2H4BHNH Journal of Molecular Structure: Theochem. 776: 89-96. DOI: 10.1016/J.Theochem.2006.08.036 |
0.438 |
|
| 2006 |
Ball DW. Nitrohydrazines as potential high energy materials: High level calculations Journal of Molecular Structure: Theochem. 273: 1-7. DOI: 10.1016/J.Theochem.2006.06.038 |
0.441 |
|
| 2006 |
Ball DW. Calculations on the structure, vibrational spectrum, and enthalpy of formation of pentafluoronitrosulfane, SF5NO2 Journal of Molecular Structure: Theochem. 767: 155-158. DOI: 10.1016/J.Theochem.2006.06.007 |
0.399 |
|
| 2006 |
Gombach BT, Knaus KJ, Ball DW. Structures and enthalpies of methyl- and dimethyl-1,3-dioxa-2,4-diazetidine, CH3HN2O2 and (CH3)2N2O2. High-level calculations Journal of Molecular Structure: Theochem. 766: 143-150. DOI: 10.1016/J.Theochem.2006.04.016 |
0.763 |
|
| 2005 |
Karahodza A, Knaus KJ, Ball DW. Cyclic triamines as potential high energy materials. Thermochemical properties of triaziridine and triazirine Journal of Molecular Structure: Theochem. 732: 47-53. DOI: 10.1016/J.Theochem.2005.07.004 |
0.76 |
|
| 2005 |
Gessner KJ, Ball DW. Cyclic diamines as potential high energy materials. Thermochemical properties of diaziridine, 1,2-diazetidine, and 1,3-diazetidine Journal of Molecular Structure: Theochem. 730: 95-103. DOI: 10.1016/J.Theochem.2005.06.007 |
0.449 |
|
| 2005 |
Ball DW. New potential high-energy materials: Oxadiaziridine, N2H 2O. High-level calculations Journal of Molecular Structure: Theochem. 724: 19-23. DOI: 10.1016/J.Theochem.2005.03.011 |
0.393 |
|
| 2005 |
Ball DW. High-level calculations of the enthalpy of formation of diazomethane Journal of Molecular Structure: Theochem. 722: 213-215. DOI: 10.1016/J.Theochem.2004.11.060 |
0.374 |
|
| 2005 |
Kapur N, Ball DW. New potential high energy materials: Diazocyclopropanes Journal of Molecular Structure: Theochem. 715: 151-155. DOI: 10.1016/J.Theochem.2004.10.068 |
0.409 |
|
| 2004 |
Ball DW. Heats of formation and vibrational spectra of two isomers of S 2F2. G2, G3, and CBS-QB3 calculations Journal of Molecular Structure: Theochem. 676: 15-18. DOI: 10.1016/J.Theochem.2003.10.068 |
0.331 |
|
| 2004 |
Corkran G, Ball DW. The relative energies of cyclopropanone, cyclopropanedione, and cyclopropanetrione. Hartree-Fock, density-functional, G2, and CBS calculations Journal of Molecular Structure: Theochem. 668: 171-178. DOI: 10.1016/J.Theochem.2003.10.026 |
0.447 |
|
| 2003 |
Ball DW. The structure and vibrational spectra of isotopomers of SnOH and OSnH Journal of Molecular Structure: Theochem. 626: 217-221. DOI: 10.1016/S0166-1280(03)00089-7 |
0.309 |
|
| 2002 |
Ball DW. High-level ab initio calculations on hydrogen-nitrogen compounds. Thermochemistry of tetrazetidine, N4H4 Journal of Molecular Structure: Theochem. 619: 37-43. DOI: 10.1016/S0166-1280(02)00397-4 |
0.363 |
|
| 2002 |
Ball DW. Formation and vibrational spectrum of trifluoromethyl sulfur pentafluoride, CF3SF5, a new greenhouse gas. Gaussian-2 and Gaussian-3 calculations Journal of Molecular Structure: Theochem. 578: 29-34. DOI: 10.1016/S0166-1280(01)00688-1 |
0.335 |
|
| 2002 |
Maziarz K, Ball DW. Basic thermochemical properties of NH2NHOH and NH2ONH2: New potential fuels? Journal of Molecular Structure: Theochem. 577: 213-218. DOI: 10.1016/S0166-1280(01)00668-6 |
0.417 |
|
| 2001 |
Ball DW. Tetrazane: Hartree - fock, Gaussian-2 and -3, and complete basis set predictions of some thermochemical properties of N4H6 Journal of Physical Chemistry A. 105: 465-470. DOI: 10.1021/Jp002675U |
0.4 |
|
| 2001 |
Vayner E, Ball DW. The energetics of the interaction of nitric oxide with alkali metal atoms Journal of Molecular Structure: Theochem. 542: 149-165. DOI: 10.1016/S0166-1280(00)00832-0 |
0.744 |
|
| 2000 |
Ball DW, Zehe MJ, Morales W. Experimental and calculational studies of the interactions of BF3 with fluoroethers Tribology Transactions. 43: 767-773. DOI: 10.1080/10402000008982406 |
0.338 |
|
| 2000 |
Vayner E, Ball DW. Ab initio and density functional optimized structures, proton affinities, and heats of formation for aziridine, azetidine, pyrrolidine, and piperidine Journal of Molecular Structure: Theochem. 496: 175-183. DOI: 10.1016/S0166-1280(99)00184-0 |
0.749 |
|
| 2000 |
Ball DW. On the stability of xenon oxysulfides and sulfides Journal of Molecular Structure: Theochem. 532: 239-244. DOI: 10.1016/S0166-1280(00)00558-3 |
0.324 |
|
| 1999 |
Ball DW. DFT and G2 calculations on the NO2-H2O molecular complex Chemical Physics Letters. 312: 306-310. DOI: 10.1016/S0009-2614(99)00914-8 |
0.385 |
|
| 1997 |
Ball DW. G2 calculations of weak molecular complexes: H2O-NO Journal of Physical Chemistry A. 101: X-4837. DOI: 10.1021/Jp971257V |
0.336 |
|
| 1997 |
Canty JF, Stone EG, Bach SBH, Ball DW. Matrix isolation and theoretical studies of ONNO: Assignment of a new combination band and density functional calculations Chemical Physics. 216: 81-89. DOI: 10.1016/S0301-0104(96)00371-0 |
0.376 |
|
| 1997 |
Ball DW. Density functional calculations on the heats of formation of cyclic hydrocarbons Journal of Molecular Structure: Theochem. 417: 107-115. DOI: 10.1016/S0166-1280(97)00062-6 |
0.329 |
|
| 1997 |
Orgel VB, Ball DW, Zehe MJ. Optimized structures and proton affinities of fluorinated dimethyl ethers: An ab initio study Journal of Molecular Structure: Theochem. 417: 195-202. DOI: 10.1016/S0166-1280(96)04923-8 |
0.372 |
|
| 1996 |
Grencewicz KA, Ball DW. Ab Initio Studies of the GaH3−H2O, GaF3−H2O, and GaCl3−H2O Molecular Complexes The Journal of Physical Chemistry. 100: 5672-5675. DOI: 10.1021/Jp952885K |
0.374 |
|
| 1996 |
Ruschel GK, Nemetz TM, Ball DW. Matrix isolation and density functional studies of novel transition metal complexes. NO + Fe, Co, Ni, Cu, and Zn in argon matrices Journal of Molecular Structure. 384: 101-114. DOI: 10.1016/S0022-2860(96)09342-8 |
0.325 |
|
| 1996 |
Ball DW. On the ΔHf values of tetrahedrane and cubane: density functional theory calculations Journal of Molecular Structure-Theochem. 364: 183-188. DOI: 10.1016/0166-1280(95)04466-3 |
0.369 |
|
| 1995 |
Ball DW, Chiarelli JA. Matrix isolation IR detection of Fex(NO)y (x,y = 1,2) complexes. Density functional calculations on FeNO and CuNO Journal of Molecular Structure. 372: 113-125. DOI: 10.1016/S0166-1280(05)80003-X |
0.357 |
|
| 1995 |
Ball DW. Preliminary calculations on the potential stability of BF−3and BF2−3 Journal of Molecular Structure-Theochem. 358: 95-98. DOI: 10.1016/0166-1280(95)04354-3 |
0.343 |
|
| 1995 |
Ball DW. An ab initio study of the BF3H2O complex Journal of Molecular Structure-Theochem. 331: 223-228. DOI: 10.1016/0166-1280(94)03891-N |
0.396 |
|
| 1993 |
Ball DW, Pong RGS, Kafafi ZH. Reactions of atomic and diatomic iron with allene in solid argon Journal of the American Chemical Society. 115: 2864-2870. DOI: 10.1021/Ja00060A038 |
0.303 |
|
| Show low-probability matches. |
