𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Structure and conformational dynamics of oxiranecarboxaldehyde in the ground and excited electronic states

✍ Scribed by Ekaterina V. Rastoltseva; Vadim A. Bataev; Igor A. Godunov


Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
607 KB
Volume
978
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


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

Electronic structure of molecular comple
✍ J. Lipinski 📂 Article 📅 1979 🏛 Elsevier Science ⚖ 361 KB

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.