Engels, Sigrid D. Peyerimhoff, and Philip S. Skell. J. Phys. Chem. , 1990, 94 (4), pp 1267â1275. DOI: 10.1021/j100367a013. Publication Date: Februar...
View: PDF | PDF w/ Links | Full Text HTML ... Theoretical Study of Nitrogen-Rich BeN4 Compounds ... F. Zahariev , A. Hu , J. Hooper , F. Zhang , T. Woo. Physical ...
Shiro Koseki, and Mark S. Gordon. J. Phys. Chem. , 1988, 92 (2), pp 364â367. DOI: 10.1021/j100313a025. Publication Date: January 1988. ACS Legacy Archive.
The potential energy surface of C2H2FO is investigated at CCSD(T)/6-311G(d,p)//B3LYP/6-311G(d,p) level. The results show that isomers of 1, 3, 4, 5, 5', 8, 9, ...
Isomer 2 has, relatively speaking, much lower kinetic stability. The three cyclic isomers 6, 6â², and 7 are less stable than the former, but more stable than the ...
singles and doubles (CCSD), as well as with triples [CCSD-. (T)]. Single-point ..... 404(4) 509(4) 722(17) 889(81) 987(63) 1087(7). 2.1836 ..... 1982, 104, 2956.
Isomer 2 has, relatively speaking, much lower kinetic stability. The three cyclic isomers 6, 6', and 7 are less stable than the former, but more stable than the latter.
Aug 29, 2002 - Finlayson-Pitts, B. J.; Pitts, J. N., Jr. Atomspheric Chemistry: Fundamentals and Experimental Techniques; John Wiley and Sons: New York, ...
Double proton transfers in formic acid dimer and formamidine dimer were studied as prototypes of multiple proton transfer. The potential energy surface (PES) ...
The structures, energetics, spectroscopies, and stabilities of the singlet and triplet Si2NP isomeric species are explored at the DFT/B3LYP, QCISD, and CCSD(T) ...
J . Phys. Chem. 1990, 94, 1267-1275 problems associated with synchronously scanning doubling crystals. The AS3 radiation is quite weak (
