𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Stable covalent and hydrogen-bonded acid-base association. Ab initio study of [CH2O · H · NH3]+ and [CH2NH · H · OH2]+ complexes

✍ Scribed by Guy Bouchoux; Yannik Hoppilliard


Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
707 KB
Volume
75
Category
Article
ISSN
0168-1176

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Metal phosphonates based on aminomethyle
✍ Song-Song Bao; Tian-Wei Wang; Yi-Zhi Li; Li-Min Zheng 📂 Article 📅 2006 🏛 Elsevier Science 🌐 English ⚖ 407 KB

This paper describes the syntheses of three transition metal diphosphonate compounds: n made up of corner-sharing ZnO 6 octahedra and CPO 3 tetrahedra, which are further connected by tetramers of edge-sharing NaO 6 octahedra, forming a three-dimensional open-framework structure. Compound 2 shows a

Degenerate lithium-hydrogen exchange rea
✍ Elmar Kaufmann; Paul Von Ragué Schleyer 📂 Article 📅 1989 🏛 John Wiley and Sons 🌐 English ⚖ 985 KB

Hydrogen exchange reactions between lithium and sodium compounds, MX (M = Li: X = H, CH3, NH2, OH, F; M = Na: X = CH3), and the corresponding hydrides, HX, have been modelled by means of ab initio calculations including electron correlation and zero point energy (ZPE) corrections. Small or no activa

Ab initio study of proton transfer in [H
✍ Lukasz Jaroszewski; Bogdan Lesyng; John J. Tanner; J.Andrew McCammon 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 605 KB

Quantum mechanical ab initio calculations at the MP2/6-3 lG\* level are performed on two proton bound dimer systems, [HsN-H-NHs]+ and [ H2N-H-OH,] +. Several calculations using a medium-size polarized basis set were performed as a check of the 6-3 IG\* results. Energies are calculated at heavy-atom