Compendium of Ab Initio Calculations of Molecular Energies and Properties
Author : Morris Krauss
Publisher :
Page : 156 pages
File Size : 32,40 MB
Release : 1967
Category : Molecules
ISBN :
Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials
Author : Cesare Pisani
Publisher : Springer Science & Business Media
Page : 331 pages
File Size : 47,5 MB
Release : 2012-12-06
Category : Science
ISBN : 3642614787
Book Description
A number of general-purpose, reasonably accurate and well-tested ab-initio codes for crystals are discussed in this book. The aim is to expand competence of their application in material sciences and solid-state physics. The book addresses particularly readers with a general knowledge in quantum chemistry and intends to give a deeper insight into the special algorithms and computational techniques in ab-initio computer codes for crystals. Three different programs which are available to all interested potential users on request are presented.
NBS Technical Note
Author :
Publisher :
Page : 88 pages
File Size : 12,96 MB
Release : 1977-05
Category : Physical instruments
ISBN :
Book Description
Molecular Dynamics
Author : Perla Balbuena
Publisher : Elsevier
Page : 971 pages
File Size : 38,58 MB
Release : 1999-04-22
Category : Science
ISBN : 0080536840
Book Description
The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD).Features of this book:• Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD• Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers• Provides chemical reactions, interfaces, catalysis, surface phenomena and solidsAlthough the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.
Critical Evaluation of Data in the Physical Sciences--a Status Report on the National Standard Reference Data System, June 1970
Author : David R. Lide
Publisher :
Page : 84 pages
File Size : 40,63 MB
Release : 1970
Category :
ISBN :
Book Description
Status Report: National Standard Reference Data System, April 1968
Author : Edward L. Brady
Publisher :
Page : 140 pages
File Size : 40,33 MB
Release : 1968
Category : National Standard Reference Data System
ISBN :
Book Description
The report summarizes the status of activities of the NBS Office of Standard Reference Data of April 1968. It provides a detailed review of the data compilation activities within the seven broad categories of the technical scope of the program:(1) nuclear data, (2) atomic and molecular data, (3) solid state data, (4) thermodynamic and transport data, (5) chemicalkinetics, (6) colloid and surface properties, and (7) mechanical properties.Progress in data systems design and development and in information services are reviewed.Certain problem areas of the program are identified.The appendix includes:(1) a listing of information and data centers associated with the Office of Standard Reference Data, (2) publications of the National Standard Reference Data System, and (3) a listing of organizations, groups, or individuals compiling or evaluating data.(Author).
Hearings, Reports and Prints of the Senate Committee on Commerce, Science, and Transportation
Author : United States. Congress. Senate. Committee on Commerce, Science, and Transportation
Publisher :
Page : 748 pages
File Size : 47,12 MB
Release : 1978
Category : Legislative hearings
ISBN :
Book Description
Standard Reference Data Publications, 1964-1980
Author : Gertrude B. Sherwood
Publisher :
Page : 132 pages
File Size : 12,2 MB
Release : 1981
Category : Chemistry
ISBN :
Book Description
Critical Evaluation of Data in the Physical Sciences
Author : Stephen A. Rossmassler
Publisher :
Page : 84 pages
File Size : 42,65 MB
Release : 1972
Category : Chemistry, Physical and theoretical
ISBN :
Book Description
Monthly Catalog of United States Government Publications
Author : United States. Superintendent of Documents
Publisher :
Page : 1012 pages
File Size : 41,67 MB
Release : 1968
Category : Government publications
ISBN :
