Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Chad A. Hollingsworth"'
Publikováno v:
International Journal of Chemical Kinetics. 36:230-237
The Lindemann mechanism explains how apparent unimolecular chemical reac- tions arise from bimolecular collisions. In this mechanism an ingredient M activates reactants A through collisions, and the resulting activated species A ∗ can either decay
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::44dad1535c3dcea4e2bceb4c59d5d4d8
https://doi.org/10.1002/kin.10191
https://doi.org/10.1002/kin.10191
Publikováno v:
International Journal of Quantum Chemistry. 90:1396-1403
The effects of substituents on the pKas of a set of 16 substituted benzoic acids have been examined using density functional theory [B3LYP/6-311G(d, p)] calculations. A variety of quantum chemical parameters were examined as indicators for the variat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5e764f3175ba3ea40ac9da2b8ce528df
https://doi.org/10.1002/qua.10362
https://doi.org/10.1002/qua.10362
Publikováno v:
Journal of Molecular Modeling. 10
Electrostatic potentials and average local ionization energies on the molecular surfaces of 19 phenols, 17 benzoic acids and their respective conjugate bases were computed at the HF/STO-5G(d)//B3LYP/6-311G(d,p) level. Good correlations were found bet
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b5597fbaf355581767b2fb750bdfa9ca
https://doi.org/10.1007/s00894-004-0185-x
https://doi.org/10.1007/s00894-004-0185-x