✦ LIBER ✦

Solute–solute potential of mean force in supercritical solvents: A nonlocal integral equation study

✍ Scribed by Egorov, S. A.; Rabani, Eran

Book ID: 121441797
Publisher: American Institute of Physics
Year: 2001
Tongue: English
Weight: 229 KB
Volume: 115
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.1385163

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Integral equation study of the residual

Integral equation study of the residual chemical potential in infinite-dilution supercritical solutions

✍ Mohammad Nader Lotfollahi; Hamid Modarress; G. Ali Mansoori 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 761 KB

Potential of mean force calculation of s

Potential of mean force calculation of solute molecules in water by a modified solvent-accessible surface method

✍ Fukunishi, Yoshifumi; Suzuki, Makoto 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 228 KB 👁 2 views

We propose an empirical method for evaluating the potential of Ž . mean force pmf of solute molecules in water by modifying the solvent-Ž . accessible surface SAS method described by Eisenberg et al. We re-evaluated the SAS energy for each united atom composing the solute. We took into account the e

Integral equation and Monte Carlo simula

Integral equation and Monte Carlo simulation studies of clusters in infinitely dilute supercritical solutions

✍ H. Tanaka; J.W. Shen; K. Nakanishi; X.C. Zeng 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 354 KB

We present a systematic study of both the size and attractive interaction strength effects on solvent clustering in infinitely dilute supercritical solutions. Both integral equation and computer simulation methods are brought to bear. We argue that monitoring the net local solvent density change due

Potential of mean force between two ions

Potential of mean force between two ions in a sucrose rich aqueous solution

✍ Vincenzo Martorana; L. La Fata; D. Bulone; P.L. San Biagio 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 240 KB

Potential of mean force for the isomeriz

Potential of mean force for the isomerization of DMF in aqueous solution: a Monte Carlo QM/MM simulation study

✍ Gao, Jiali 📂 Article 📅 1993 🏛 American Chemical Society 🌐 English ⚖ 656 KB

The potential of mean force surface for

The potential of mean force surface for the alanine dipeptide in aqueous solution: a theoretical approach

✍ B. Montgomery Pettitt; Martin Karplus 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 645 KB

An essential problem in the theory of biopolymers concerns the effects of solvent on then thermodynarnic, structural, and dynamic properties [l] This is of particular importance because biopolymers contain many charged and polar groups which interact strongly wrth a polar solvent such as water Most