A number of composite model chemistries (CBS-QB3, CBS-APNO, G3, and G4) are used to compute theoretical atomization energies and hence enthalpies of formation at 0 and 298.15 K, and these are benchmarked against the best available compendium of values, the Active Thermochemical Tables or A...
JOURNAL OF CHEMICAL THERMODYNAMICSSubstituent effects in the thermochemistry of furans: A theoretical (CBS-QB3, CBS-APNO and G3) study[J] . John M. Simmie,Kieran P. Somers,Wayne K. Metcalfe,Henry J. Curran.The Journal of Chemical Thermodynamics . 2013...
Comparison of CBS-QB3, CBS-APNO, and G3 Predictions of Gas Phase Deprotonation Data The G3, CBS-QB3, and CBS-APNO methods have been used to calculate ΔH and ΔG values for deprotonation of seventeen gas-phase reactions where the experimen... EK Pokon,MD Liptak,S Feldgus,... - ...
"But let's talk about the big elephant in the room. That's why I was done with the meeting," Rice said. "I don't have time for conversations that are not real, that are not going to advance the ball for all of us here in Washington, and I for one am not going to stand...
The Trojans moved up three spots in the AP Top 25 after beating the then-No. 4 Huskies 72-70 on Saturday night in a rematch of last season's Elite Eight game that UConn won. "It feels great to get the dub always," USC star JuJu W...
川宝倒了//@英国报姐:AP,NBC,CBS等多家媒体宣布拜登当选第46届美国总统。 http://t.cn/A6GfBE7D【转发】@英国报姐:突发!!CNN刚刚宣布,拜登赢了美国大选!
Deion Sanders was the original "shutdown corner" -- something that no longer exists, according to Bucky Brooks. Who are the top five CBs in 2016? The list includes Josh Norman and Marcus Peters.
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Pickard Frank C,Pokon Emma K,Liptak Matthew D,Shields George C.Comparison of CBS-QB3, CBS-APNO, G2, and G3 thermochemical predictions with experiment for formation of ionic clusters of hydronium and hydroxide ions complexed with water. The Journal of Chemical Physics . 2005...
Curran, Henry J.Elsevier LtdJournal of Chemical ThermodynamicsSubstituent effects in the thermochemistry of furans: A theoretical (CBS-QB3, CBS-APNO and G3) study[J] . John M. Simmie,Kieran P. Somers,Wayne K. Metcalfe,Henry J. Curran.The Journal of Chemical Thermodynamics . 2013...