𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab-initio molecular orbital studies on CH…X hydrogen bonded systems

✍ Scribed by Saraswathi Vishveshwara

Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
328 KB
Volume
59
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

An ab initio molecular orbital study of
An ab initio molecular orbital study of intramolecular H-bonding: 1,3 propanediol
✍ Allan Johansson; Peter Kollman; Steve Rothenberg 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 340 KB

An ab initio molecular orbital calculation has been carried out for three different conformations of I,3 propanediol, onr: ol'\vhich permits intrumolccular hvdroscn bonding. This is the first intrnmolwular H-bond stlidied by ab initio quanium mecllanicltl methods. The Af:' for H-bond Vormztion is co

Characteristics of the Watson-Crick type
Characteristics of the Watson-Crick type hydrogen-bonded DNA base pairs: An ab initio molecular orbital study
✍ Misako Aida 📂 Article 📅 1988 🏛 John Wiley and Sons 🌐 English ⚖ 412 KB

Characteristics of the Watson-Crick-type hydrogen-bonded base pairs, thymine-adenine and cytosineguanine, are presented. These were established using an ab initio molecular orbital method. Base-base interactions are revealed to have dominant roles in the structures of nucleic acids and also in their

Structures and stabilities of C6H3⨥6 iso
Structures and stabilities of C6H3⨥6 isomers: an ab initio molecular orbital study
✍ Wolfram Koch; Helmut Schwarz 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 279 KB

The ground-state potential energy surface of C6H63-+ was explored by ab initio molecular orbital calculations using the split valence 3-21G basis set. Various isomers were located as minima, the most stable corresponding to the fulvene tricat-.... 0 -1 3+ • • ion (1). The heat of formation of 1 Is e