عنوان

Determination of Liquid Water Structure :

شابک

3540078703

شابک

3642930522

شابک

9783540078708

شابک

9783642930522

شماره

b575768

عنوان اصلي

Determination of Liquid Water Structure :

نام عام مواد

[Book]

ساير اطلاعات عنواني

Coordination Numbers for Ions and Solvation for Biological Molecules

نام نخستين پديدآور

by Enrico Clementi.

محل نشرو پخش و غیره

Berlin, Heidelberg

نام ناشر، پخش کننده و غيره

Springer Berlin Heidelberg

تاریخ نشرو بخش و غیره

1976

نام خاص و کميت اثر

(VI, 107 pages)

عنوان فروست

Lecture notes in chemistry, 2.

متن يادداشت

1. Description of a Chemical System as a Set of m Fixed Nuclei and n Electrons --; 1.1 Introduction --; 1.2 The SCF-LCAO-MO Approximation --; 1.3 The Correlation Energy Correction --; 1.4 Statistical Estimate of the Correlation Energy --; 1.5 Configuration Interaction --; 1.6 Combination of Statistical Methods and C.I. Techniques --; 1.7 Molecular Extra Correlation Energy --; 1.8 Choice of the Basis Set for the SCF-LCAO-MO Functions --; 1.9 Electron Population Analyses --; 1.10 Bond Energy Analyses in a Single Molecule --; 1.11 Bond Energy Analyses for Molecular Complexes --; 1.12 Bond Energy Analyses to Derive Chemical Structural Formulas --; 1.13 References --; 2. Structure of Liquid Water as a Test Case --; 2.1 Introduction --; 2.2 Approximate Hartree-Fock Potential for the Water Dimer --; 2.3 Polymers of Water Molecules in the Hartree-Fock Approximation --; 2.4 Monte Carlo Simulation of Liquid Water Using an Hartree-Fock Potential --; 2.5 Structure of Liquid Water Using an Accurate Potential --; 2.6 References --; 3. Coordination Numbers and Solvation Shells --; 3.1 Introduction --; 3.2 Structure of Water Arounds Ion Pairs --; 3.3 The Three-body Effects --; 3.4 More Accurate Determination of the Coordination Numbers for Ions --; 3.5 Solvation Potentials for Amino Acids --; 3.6 Conclusions --; 3.7 References.

متن يادداشت

One should distinguish between coordination numbers and hydration numbers. Following Bockris.

موضوع مستند نشده

Biochemistry.

موضوع مستند نشده

Chemistry.

موضوع مستند نشده

Physical organic chemistry.

شماره رده

نشانه اثر

مستند نام اشخاص تاييد نشده

by Enrico Clementi.

مستند نام اشخاص تاييد نشده

Enrico Clementi

نام الکترونيکي

نوع ماده

[Book]

تكميل شده

Y