𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Riemann curvature as a measure of the instability of the classical trajectories in chemical dynamics

✍ Scribed by I. V. Krivoshei; A. V. Luzanov


Publisher
SP MAIK Nauka/Interperiodica
Year
1983
Tongue
English
Weight
456 KB
Volume
23
Category
Article
ISSN
0022-4766

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


The use of NMR chemical shifts to analys
✍ Bernard Busetta; Philippe Picard; Gilles Precigoux 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 136 KB

## Abstract In this paper the NMR secondary chemical shifts, that are estimated from a set of 3D‐structures, are compared with the observed ones to appraise the behaviour of a known x‐ray diffraction structure (of the bovine pancreatic trypsin inhibitor protein) when various molecular dynamics are

NMR chemical shifts as a tool to analyze
✍ Douglas R. Banyai; Tatiana Murakhtina; Daniel Sebastiani 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 139 KB

We present (1)H NMR chemical shift calculations of liquid water based on first principles molecular dynamics simulations under periodic boundary conditions. We focus on the impact of computational parameters on the structural and spectroscopic data, which is an important question for understanding h