## Abstract Coupledβcluster calculations are used to compute the energy of conversion between the neutral and the zwitterionic forms of Ξ²βcarboline. The stability of the different species is discussed in terms of charge separation and aromatic character, which is related to magnetic criteria. By me
β¦ LIBER β¦
Electronic Structure of the Ground and Excited States of the Cu A Site by NMR Spectroscopy
β Scribed by Abriata, Luciano A.; Ledesma, Gabriela N.; Pierattelli, Roberta; Vila, Alejandro J.
- Book ID
- 120612341
- Publisher
- American Chemical Society
- Year
- 2009
- Tongue
- English
- Weight
- 417 KB
- Volume
- 131
- Category
- Article
- ISSN
- 0002-7863
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Electronic Structure of the Ground and E
β
Vicente PΓ©rez MondΓ©jar; Inmaculada GarcΓa Cuesta; Paolo Lazzeretti; JosΓ© SΓ‘nchez
π
Article
π
2008
π
John Wiley and Sons
π
English
β 276 KB
The Electronic Structure of ScAl + . Gro
β
Tzeli, Demeter; Mavridis, Aristides
π
Article
π
2000
π
American Chemical Society
π
English
β 253 KB
Structure and conformational dynamics of
β
Ekaterina V. Rastoltseva; Vadim A. Bataev; Igor A. Godunov
π
Article
π
2010
π
Elsevier Science
π
English
β 607 KB
Resonance CARS spectroscopy of the groun
β
P. A. Apanasevich; V. V. Kvach; V. A. Orlovich
π
Article
π
1989
π
John Wiley and Sons
π
English
β 835 KB
Electronic structure and bonding in the
β
P. Scharf; S. Brode; R. Ahlrichs
π
Article
π
1985
π
Elsevier Science
π
English
β 304 KB
Extended basis set calculations have been performed for the ground state of 0.12 using CI(SD) and the coupled pair functional (CPF) method, a size-consistent moditication of CI(SD). Special emphasis is ,&en to the discussion of (lj Scis saturation effects (up to g functions were included). a) effect
The electronic structure of the ground a
β
M Jaworska; P Lodowski
π
Article
π
2000
π
Elsevier Science
π
English
β 619 KB