ChIN简介页:NIST Chemistry WebBook
首  页 | ChemDB Portal | 帮  助 | 论  坛 |  关于本站 | 动态网页

 

NIST Chemistry WebBook

【URL】 http://webbook.nist.gov/chemistry

【收费情况】
 免费

【数据库研制者】
     NIST Standard Reference Database Number 69

The National Institute of Standards and Technology (NIST)

【数据内容】
     The November 1998 release of The NIST WebBook is the fifth edition of the NIST Chemistry WebBook. It contains thermochemical data for over 5000 organic and small inorganic compounds, reaction thermochemistry data for over 8000 reactions, IR spectra for over 5000 compounds, mass spectra for over 10,000 compounds, electronic / vibrational spectra for over 3000 compounds, constants of
diatomic molecules (spectroscopic data) for over 600 compounds, Ion energetics data for over 14,000 compounds, and thermophysical property data for 16 fluids There are many avenues for searching the database. Structures are given for most species, as well as common and commercial names.

【检索途径】
     Formula
Name
Partial formula
CAS registry number
Structure based
Ion energetics
Vibrational and electronic spectra
Molecular weight
Author

【备注】
     Neutral Thermochemical data compiled by H.Y. Afeefy, J.F. Liebman, S.E. Stein
Condensed Phase Heat Capacity data compiled by E.S. Domalski, E.D. Hearing
Ionization Energetics (IE, AE) data compiled by S.G. Lias, H.M. Rosenstock, K. Draxl, B.W. Steiner, J.T. Herron, J.L. Holmes, R.D. Levin, J.F. Liebman, S.A. Kafafi
Ionization Energy data evaluated by S.G. Lias
Negative Ion Energetics data compiled by J.E. Bartmess
Proton Affinity data compiled and evaluated by E.P. Hunter, S.G. Lias
Vibrational and Electronic Energy Level data compiled by M.E. Jacox
Vibrational Frequency data compiled by T. Shimanouchi
Constants of Diatomic Molecules compiled by K.P. Huber, G. Herzberg
Organometallic Thermochemical data compiled by J. A. Martinho Sim鮡s
Heat of Sublimation data compiled by J.S. Chickos
Boiling Point data compiled by R.L. Brown, S.E. Stein
Henry's Law Constants compiled by R. Sander
Thermophysical Properties of Fluid Systems by E.W. Lemmon, M.O. McLinden, D.G. Friend
UV/Visible Spectra compiled by V. Talrose, E.B. Stern, A.A. Goncharova, N.A. Messineva, N.V. Trusova, M.V. Efimkina
Names, Structures, Mass and IR Spectra data compiled by NIST Mass Spectrometry Data Center, S.E. Stein director

WebBook system developed by P.J. Linstrom
General Editor W.G. Mallard

【参照】 The NIST Chemistry WebBook

【相关链接】
  丙烯酸的数据 (2000-05-20)
  美国标准与技术研究院NIST
  HCN的红外谱图
  美国NIST的标准参考数据产品(Standard Reference Data Products, NIST)
  NIST Ceramics WebBook (NIST的陶瓷数据库)
  燃烧热
  常用化合物及其性质Common Compound Library
  Finding Chemical Information on the Web - the User's Viewpoint
  如何查找紫外-可见谱图 (2002-06-18)
  红外光谱 (About IR Spectra)
  化学学科信息门户网上的一些免费数据库我们可以用么? (2003-09-30)
  数据评价及可靠的数据源


Summary by 李晓霞 on 1999-12-28

Last updated by 李晓霞 on 2005-11-23

访问统计 | 软 件 | 论文专著 | 请留言 请在800x600分辨率以上,用IE4.0以上版本浏览
版权所有 © 1998 - 2015 中国科学院过程工程研究所
       高性能计算与化学信息学课题组
       中国·北京·京ICP备05058588