Using a recently modified INDO method the equilibrium intermolecular distance and heats of formation of various types of molecular complexes (CT, HB, CTTS, etc.) have been calculated. The results obtained are in reasonable agreement with available ab initio studies.
✦ LIBER ✦
Electronic structure of isoalloxazines in their ground and excited states
✍ Scribed by Ewa Sikorska; Igor V. Khmelinskii; Jacek Koput; Jose L. Bourdelande; Marek Sikorski
- Publisher
- Elsevier Science
- Year
- 2004
- Tongue
- English
- Weight
- 117 KB
- Volume
- 697
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Electronic structure of molecular comple
✍
J. Lipinski
📂
Article
📅
1979
🏛
Elsevier Science
⚖ 361 KB
Electronic structure of molecular comple
✍
J. Lipiński
📂
Article
📅
1979
🏛
Elsevier Science
⚖ 411 KB
Electronic structure of ground and excit
✍
R.A. Faulkner; P.J. Dean
📂
Article
📅
1970
🏛
Elsevier Science
🌐
English
⚖ 534 KB
Electronic Structure of the Ground and E
✍
Vicente Pérez Mondéjar; Inmaculada García Cuesta; Paolo Lazzeretti; José Sánchez
📂
Article
📅
2008
🏛
John Wiley and Sons
🌐
English
⚖ 276 KB
## Abstract Coupled‐cluster calculations are used to compute the energy of conversion between the neutral and the zwitterionic forms of β‐carboline. The stability of the different species is discussed in terms of charge separation and aromatic character, which is related to magnetic criteria. By me
Structure and conformational dynamics of
✍
Ekaterina V. Rastoltseva; Vadim A. Bataev; Igor A. Godunov
📂
Article
📅
2010
🏛
Elsevier Science
🌐
English
⚖ 607 KB
Electronic Studies on Oligothienylenevin
✍
Rocío Ponce Ortiz ; Sandra R. González; Juan Casado; Juan T. López Navarrete; Da
📂
Article
📅
2009
🏛
John Wiley and Sons
🌐
English
⚖ 443 KB