화학공학소재연구정보센터
검색결과 : 40건
No. Article
1 The reaction of C6H5 with CO: Kinetic measurement and theoretical correlation with the reverse process
Nam GJ, Xia WS, Park J, Lin MC
Journal of Physical Chemistry A, 104(6), 1233, 2000
2 The mechanism for unimolecular decomposition of RDX (1,3,5-trinitro-1,3,5-triazine), an ab initio study
Chakraborty D, Muller RP, Dasgupta S, Goddard WA
Journal of Physical Chemistry A, 104(11), 2261, 2000
3 Modeling the interaction of the phosphate group in nucleotides with copper(I) in the gas phase: Reactivity of Cu+ with orthophosphoric acid and its monomethyl ester
Luna A, Gevrey S, Tortajada J
Journal of Physical Chemistry B, 104(1), 110, 2000
4 Theoretical investigation of the role of intramolecular hydrogen bonding in beta-hydroxyethoxy and beta-hydroxyethylperoxy radicals in the tropospheric oxidation of ethene
Vereecken L, Peeters J
Journal of Physical Chemistry A, 103(12), 1768, 1999
5 Kinetics of C6H5 radical reactions with toluene and xylenes by cavity ringdown spectrometry
Park J, Chakraborty D, Bhusari DM, Lin MC
Journal of Physical Chemistry A, 103(20), 4002, 1999
6 Ab initio calculations of vibronic spectra and dynamics for small polyatomic molecules: Role of Duschinsky effect
Mebel AM, Hayashi M, Liang KK, Lin SH
Journal of Physical Chemistry A, 103(50), 10674, 1999
7 Scaling factors for the prediction of the frequencies of the ring modes in benzene derivatives
Palafox MA
Journal of Physical Chemistry A, 103(51), 11366, 1999
8 First principles study of adsorbed Cu-n (n=1-4) microclusters on MgO(100) : Structural and electronic properties
Musolino V, Selloni A, Car R
Journal of Chemical Physics, 108(12), 5044, 1998
9 Generalized gradient approximation to the angle- and system-averaged exchange hole
Ernzerhof M, Perdew JP
Journal of Chemical Physics, 109(9), 3313, 1998
10 Rate constant of the HONO+HONO -> H2O+NO+NO2 reaction from ab initio MO and TST calculations
Mebel AM, Lin MC, Melius CF
Journal of Physical Chemistry A, 102(10), 1803, 1998