Zobrazeno 1 - 10 of 15 pro vyhledávání: '"Harald H. Jensen"'
1
The effect of hydrogen bonding on structural parameters
Autor: E. Wisløff-Nilssen, Harald H. Jensen, R. Johansen, Tor Ottersen
Publikováno v: Journal of Molecular Structure. 30:379-387
Four hydrogen-bonded formamide—ammonia complexes have been studied by ab initio calculations, two where the amino group acts as a donor and two where the carbonyl oxygen is acceptor. In all cases the formation of a hydrogen bond leads to increased
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::8711815bd0d03b58d108dbc7c2cfcc29
https://doi.org/10.1016/0022-2860(76)87014-7
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4
Barrier to internal rotation and π-bonding in diborane peroxide, BH2O2BH2, studied by ab inttio calculations
Autor: Odd Gropen, Harald H. Jensen
Publikováno v: Journal of Molecular Structure. 32:85-91
The barrier to internal rotation and π-bonding in diborane peroxide are studied by ab initio calculations. The calculated potential curve for rotation about the peroxide bond is similar to related potential curves calculated for butadiene, glyoxal a
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fef5eb32f35c12d2da9cd935e956b356
https://doi.org/10.1016/0022-2860(76)80049-x
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5
The effect of hydrogen bonding on structural parameters ii. an ab initio study of the monohydrated formamide molecule
Autor: Tor Ottersen, Harald H. Jensen
Publikováno v: Journal of Molecular Structure. 26:375-385
Four hydrogen-bonded formamide-water complexes have been studied by ab initio calculations, two where the amino group acts as a donor and two where the carbonyl oxygen is an acceptor. The results indicate that the effect on the conjugated NCO fragmen
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4faf9ad16ced32caf48198d51b6522fe
https://doi.org/10.1016/0022-2860(75)80022-6
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6
The potential function for the CCC bending in carbon suboxide studied by Ab initio calculations
Autor: Edvin Wisløff Nilssen, Hans Martin Seip, Harald H. Jensen
Publikováno v: Chemical Physics Letters. 27:338-341
Ab initio calculations using a (9s5pld) basis give a high degree of anharmonicity in the CCC bending potential for C 3 O 2 in agreement with experimental evidence. The barrier corresponding to the linear form is, however, not reproduced in the presen
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f2ae612e7a81b8ab96f1c06f2449fe84
https://doi.org/10.1016/0009-2614(74)90236-x
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10
Mean amplitudes of vibration for some conjugated carbonyl compounds: glyoxal, acrolein and p-benzoquinone
Autor: Sven J. Cyvin, G. Hagen, Harald H. Jensen
Publikováno v: Journal of Molecular Structure. 4:51-58
A normal-coordinate analysis has been carried out on the in-plane vibrations of three planar conjugated carbonyl compounds: glyoxal, acrolein and p -benzo-quinone. The derived force constants have been used to calculate the mean amplitudes of vibrati
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::79151b24e9cbe890ac7ce442ee8d50a2
https://doi.org/10.1016/0022-2860(69)85028-3
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