Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Heike Lampert"'
Publikováno v:
The Journal of Physical Chemistry A. 101:9610-9617
GIAO-calculated NMR chemical shifts (1H, 13C, and 17O) as obtained at various computational levels are reported for the three parent compounds phenol, benzaldehyde, and salicylaldehyde, and for 13 different benzoyl and the 13 corresponding 2-hydroxyb
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e501d170d88e0d94e90b40f7719617c5
https://doi.org/10.1021/jp970280d
https://doi.org/10.1021/jp970280d
Publikováno v:
The Journal of Physical Chemistry A. 101:2254-2263
Geometric and vibrational spectroscopic data (rotational constants, bond distances and angles, vibrational frequencies, IR intensities, and OH/OD isotope effects) of phenol, benzaldehyde, and salicylaldehyde as calculated at various levels of theory
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a4f12a2442dd440302171af4c2c81d06
https://doi.org/10.1021/jp962933g
https://doi.org/10.1021/jp962933g
Publikováno v:
The Journal of Physical Chemistry. 100:7418-7425
IR gas-phase and quantum chemical data that characterize the intramolecular hydrogen bonds in a series of 2-hydroxybenzoyl compounds (Ph(OH)(COY): Y = Cl, OH, SH, OCH3, SCH3, H, CH3, Ph, N(CH(CH3)CH2)2CH2, N(CH2CH2)2CH2, N(CH3)2, NHCH3, NH2, NHNH2) a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bf09d83d082f91baf720872ae34fd27d
https://doi.org/10.1021/jp953527k
https://doi.org/10.1021/jp953527k
Publikováno v:
ChemInform. 27
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b0b8ff96fae170169991687bd36f0c8b
https://doi.org/10.1002/chin.199634013
https://doi.org/10.1002/chin.199634013