화학공학소재연구정보센터
검색결과 : 8건
No. Article
1 Structure, intramolecular rotation barrier, and thermochemical properties of hydroxycyclohexadienyl radical
Chen CC, Lay TH, Bozzelli JW
Journal of Physical Chemistry A, 107(33), 6451, 2003
2 Comparison of AM1 and PM3 in MOPAC6 with literature for the thermodynamic parameters of C-1 and C-2 chlorocarbons
Zhu L, Bozzelli JW, Lay TH
Industrial & Engineering Chemistry Research, 37(8), 3497, 1998
3 Ab initio calculations and internal rotor : Contribution for thermodynamic properties S-298(o) and C-p(T)'s (300 < T/K < 1500) : Group additivity for fluoroethanes
Yamada T, Lay TH, Bozzelli JW
Journal of Physical Chemistry A, 102(37), 7286, 1998
4 Thermodynamic Parameters and Group Additivity Ring Corrections for 3-Membered to 6-Membered Oxygen Heterocyclic Hydrocarbons
Lay TH, Yamada T, Tsai PL, Bozzelli JW
Journal of Physical Chemistry A, 101(13), 2471, 1997
5 Enthalpies of formation and group additivity of alkyl peroxides and trioxides
Lay TH, Bozzelli JW
Journal of Physical Chemistry A, 101(49), 9505, 1997
6 Atmospheric Photochemical Oxidation of Benzene - Benzene Plus Oh and the Benzene-Oh Adduct (Hydroxyl-2,4-Cyclohexadienyl) Plus O-2
Lay TH, Bozzelli JW, Seinfeld JH
Journal of Physical Chemistry, 100(16), 6543, 1996
7 Ab-Initio Study of Alpha-Chlorinated Ethyl Hydroperoxides Ch3Ch2Ooh, Ch3Chclooh, and Ch3Ccl2Ooh - Conformational-Analysis, Internal-Rotation Barriers, Vibrational Frequencies, and Thermodynamic Properties
Lay TH, Krasnoperov LN, Venanzi CA, Bozzelli JW, Shokhirev NV
Journal of Physical Chemistry, 100(20), 8240, 1996
8 Hydrogen-Atom Bond Increments for Calculation of Thermodynamic Properties of Hydrocarbon Radical Species
Lay TH, Bozzelli JW, Dean AM, Ritter ER
Journal of Physical Chemistry, 99(39), 14514, 1995