Ab initio calculations for the interacting system of lower excited states of planar and bent HzCO with B?O have been carried out with a minimum basis set, using the recently proposed electron-hole potential method The blue shifts of the n-z\* transition are evaiuated as I100 and 142Q cm-\* ' .or th
โฆ LIBER โฆ
Molecular orbital studies of hydrogen bonds. VIII. Malonaldehyde and symmetric hydrogen bonding in neutral species
โ Scribed by Isaacson, Alan D.; Morokuma, Keiji
- Book ID
- 126972135
- Publisher
- American Chemical Society
- Year
- 1975
- Tongue
- English
- Weight
- 659 KB
- Volume
- 97
- Category
- Article
- ISSN
- 0002-7863
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Molecular orbital studies of hydrogen bo
โ
Suehiro Iwata; Keiji Morokuma
๐
Article
๐
1973
๐
Elsevier Science
๐
English
โ 415 KB
An AM1 molecular orbital study of hydrog
โ
Vinson, L. K.; Dannenberg, J. J.
๐
Article
๐
1989
๐
American Chemical Society
๐
English
โ 487 KB
Ab Initio Molecular-Orbital Study of Hyd
โ
Bobadova-Parvanova, Petia; Galabov, Boris
๐
Article
๐
1998
๐
American Chemical Society
๐
English
โ 57 KB
Molecular orbital theory of the hydrogen
โ
Janet E. Del Bene
๐
Article
๐
1973
๐
Elsevier Science
๐
English
โ 436 KB
Molecular orbital study of the configura
โ
Murthy, A. S. N.; Rao, K. Gurudath.; Rao, C. N. Ramachandra.
๐
Article
๐
1970
๐
American Chemical Society
๐
English
โ 569 KB
Molecular orbital studies of hydrogen bo
โ
L. Morishima; K. Endo; T. Yonezawa
๐
Article
๐
1971
๐
Elsevier Science
๐
English
โ 317 KB
SCF molecular orbital calculations using INDO method have been performed for dimethyl nitroxide (DMNO)-methanol and DMNO-acetylene hydrogen bond systems. Negative spin densiw on the hydroql proton of methanol which has been confirmed by our previous NBIR studies was reproduced only for the model whe