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 |