𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The Specific Solvation Effects on the Structures and Properties of Adenine−Uracil Complexes: A Theoretical ab Initio Study

✍ Scribed by Zhanpeisov, Nurbosyn U.; Leszczynski, Jerzy


Book ID
124098382
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
86 KB
Volume
102
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Ab initio studies on the structural and
✍ Xin Cui; Jian-Tao Wang; Xi-Xia Liang; Guo-Zhong Zhao 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 921 KB

Based on ab initio total energy calculations, the structural, electronic and magnetic properties of RhH alloy with both cubic and tetrahedral structures are investigated as a function of the volume. It is shown that NaCl-type cubic structure is more stable than the tetrahedral one energetically as o

Structure, properties, and nature of the
✍ Junyong Wu 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 339 KB

## Abstract Structure and properties of complexes (energies and charge transfer) of complexes BrF‐HX (X = F, Cl, Br, I) have been investigated at the MP2/aug‐cc‐pVDZ (aug‐cc‐pVDZ‐pp basis sets for I) level. Two types of geometries (hydrogen‐bonded and halogen‐bonded) are observed. The calculated in