화학공학소재연구정보센터
검색결과 : 17건
No. Article
1 Enthalpies of reaction, formation, and hydrogenation among long chain alkanes, monoalkenes, acids, alcohols, and amines: G4 computed and experimental results
Rogers DW, Zavitsas AA
Journal of Chemical Thermodynamics, 79, 258, 2014
2 Electrophilic Aromatic Substitution: Enthalpies of Hydrogenation of the Ring Determine Reactivities of C6H5X. The Direction of the C6H5-X Bond Dipole Determines Orientation of the Substitution
Schnatter WFK, Rogers DW, Zavitsas AA
Journal of Physical Chemistry A, 117(49), 13079, 2013
3 Effects of Molecule Stabilization Energies on Radical Reactions: G3 and G3(MP2) Model Chemistries Applied to Benzylic Systems
Rogers DW, Zavitsas AA, Matsunaga N
Journal of Physical Chemistry A, 113(44), 12049, 2009
4 Enthalpies of formation of hydrocarbons by hydrogen atom counting. Theoretical implications
Zavitsas AA, Matsunaga N, Rogers DW
Journal of Physical Chemistry A, 112(25), 5734, 2008
5 G3(MP2) enthalpies of hydrogenation, isomerization, and formation of extended linear polyacetylenes
Rogers DW, Zavitsas AA, Matsunaga N
Journal of Physical Chemistry A, 109(40), 9169, 2005
6 G3(MP2) calculations of enthalpies of hydrogenation, isomerization, and formation of [3]-radialene and related compounds
Rogers DW, McLafferty FJ
Journal of Physical Chemistry A, 106(6), 1054, 2002
7 The aromaticity of pyracylene: An experimental and computational study of the energetics of the hydrogenation of acenaphthylene and pyracylene
Diogo HP, Kiyobayashi T, da Piedade MEM, Burlak N, Rogers DW, McMasters D, Persy G, Wirz J, Liebman JF
Journal of the American Chemical Society, 124(9), 2065, 2002
8 G3(MP2) calculations of enthalpies of hydrogenation, isomerization, and formation of bi- and tricyclic C-8 and C-10 hydrocarbons. The bicyclo[3.3.0]octenes and triquinacenes
Rogers DW, McLafferty FJ
Journal of Physical Chemistry A, 104(41), 9356, 2000
9 The heat of hydrogenation of (a) cyclohexatriene
Beckhaus HD, Faust R, Matzger AJ, Mohler DL, Rogers DW, Ruchardt C, Sawhney AK, Verevkin SP, Vollhardt KPC, Wolff S
Journal of the American Chemical Society, 122(32), 7819, 2000
10 Ab initio calculations of enthalpies of hydrogenation, isomerization, and formation of cyclic C-6 hydrocarbons. Benzene isomers
Li ZR, Rogers DW, McLafferty FJ, Mandziuk M, Podosenin AV
Journal of Physical Chemistry A, 103(3), 426, 1999