✦ LIBER ✦

Entropy-driven structures of the hexaaqua-sodium(I)

✍ Scribed by Byung Jin Mhin; Jongseob Kim; Kwang S. Kim

Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 342 KB
Volume: 216
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(93)90099-m

No coin nor oath required. For personal study only.

✦ Synopsis

Thermodynamic energies ofhydrated sodium ions predicted by extensive ab initio calculations are in excellent agreement with experiment. The hexaaqua-Na(1) ion shows entropy-driven structures: the primary hydration number is 4 at low temperatures and 5 at near room temperatures in spite of the fact that the coordination number generally decreases with increasing temperature. One semi-free water molecule in the outer shell is responsible for the sudden decrease in the absolute magnitude of the successive entropy change.

📜 SIMILAR VOLUMES

Entropy-driven structures of the water o

Entropy-driven structures of the water octamer

✍ Jongseob Kim; Byung Jin Mhin; Sang Joo Lee; Kwang S. Kim 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 385 KB

Ab initio Hartree-Fock and Moller-Plesset second-order perturbation calculations have been performed on several structures of the water octamer which are expected to be in low-lying energy states. The ab initio results calculated with double zeta plus polarization basis sets predict that the global

The Binding of Sulfate Anions by Guanidi

The Binding of Sulfate Anions by Guanidinium Receptors is Entropy-Driven

✍ Michael Berger; Franz P. Schmidtchen 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 131 KB

On the Entropy of Dissipative and Turbul

On the Entropy of Dissipative and Turbulent Structures

✍ Prof. Dr. W. Ebeling; H. Engel-Herbert; H. Herzel 📂 Article 📅 1986 🏛 John Wiley and Sons 🌐 English ⚖ 425 KB

It is shown that under the condition of fixed energy the entropy is decreasing with increasing excitation. two examples: ffber die Entropie dissipativer und turbulenter Strukturen untersucht : Inhaltsiibersicht. Der Entropie-Satz von KLIMONTOVICH wird an Hand von zwei Beispielen 1. Selbsterregte Osz

Thermodynamics of drug–DNA interactions:

Thermodynamics of drug–DNA interactions: Entropy-driven intercalation and enthalpy-driven outside binding in the ellipticine series

✍ Marc-Antoine Schwaller; Guy Dodin; Jean Aubard 📂 Article 📅 1991 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 687 KB

Viscosimetric and kinetic results allow one to characterize three modes of DNA binding in the ellipticine series: ( 1 ) Ellipticine and its 9 methoxy derivative, which present maximal DNA lengthening properties and bind DNA through a single step mechanism, can be considered as pure intercalators. (

The variation of the superficial excess

The variation of the superficial excess of entropy in relation to the structure of water in sodium fluoride solutions

✍ P. Vanel; D. Schuhmann; C. Bertrand 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 201 KB

The crystal and molecular structure of b

The crystal and molecular structure of bis(diacetamide)(perchlorato)sodium(I)

✍ P.S. Gentile; J.G. White; D.D. Cavalluzzo 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 482 KB

The structure of bis(diacetamide) (perchlorato) sodium(I), Na[(CH,CONHCOCHJ)zCl,O,l has been determined from three dimensional X-ray diffraction data using monochromatic CuK, radiation. The unit cell is monoclinic, space group P2Jc, having dimensions a = 7.529(3)4 b = 20.69(2)& c = 10.974 (5)i$ p =