𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A theoretical study of the C–H⋯N hydrogen bond in the methane–ammonia complex

✍ Scribed by Ning-Bew Wong; Yu-San Cheung; D.Y Wu; Y Ren; X Wang; A.M Tian; Wai-Kee Li


Book ID
114143926
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
89 KB
Volume
507
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Theoretical study of the n→π* transition
✍ Yordanka Dimitrova; Sigrid D. Peyerimhoff 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 469 KB

MRD-CI calculations have been carried out for hydrogen-bonded complexes involving formaldehyde and a series of proton donors of varying strengths: N&OH, NH=CHOH, CHr=CHOH and HsO. The energies for the singlet and triplet n-+x\* states of the various complexes are calculated and the shift in the tran