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160906e19890101||| o| f1|||||eng|d |
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|a (TOE)ost7257689
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|a (TOE)7257689
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|a TOE
|c TOE
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| 049 |
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|a GDWR
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| 072 |
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7 |
|a 37
|2 edbsc
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| 086 |
0 |
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|a E 1.99: conf-8911171--1
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| 086 |
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|a E 1.99:la-ur-90-485
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| 086 |
0 |
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|a E 1.99: conf-8911171--1
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| 088 |
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|a conf-8911171--1
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| 088 |
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|a la-ur-90-485
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| 245 |
0 |
4 |
|a The calculation of hydrogen-bonding properties
|h [electronic resource]
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| 260 |
|
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|a Washington, D.C :
|b United States. Department of Energy. Office of the Assistant Secretary for Defense Programs ;
|a Oak Ridge, Tenn. :
|b distributed by the Office of Scientific and Technical Information, U.S. Department of Energy,
|c 1989.
|
| 300 |
|
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|a Pages: (7 p) :
|b digital, PDF file.
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| 336 |
|
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|a text
|b txt
|2 rdacontent.
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| 337 |
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|a computer
|b c
|2 rdamedia.
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| 338 |
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|a online resource
|b cr
|2 rdacarrier.
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| 500 |
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|a Published through SciTech Connect.
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| 500 |
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|a 01/01/1989.
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| 500 |
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|a "la-ur-90-485"
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| 500 |
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|a " conf-8911171--1"
|
| 500 |
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|a "DE90007534"
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| 500 |
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|a U.S. Army CRDEC scientific conference on chemical defense research, Aberdeen Proving Ground, MD (USA), 13-17 Nov 1989.
|
| 500 |
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|a Kober, E.M.; Ritchie, J.P.; Faloona, I.C.
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| 520 |
3 |
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|a Hydrogen-bonding characteristics of molecules are extremely important in determining their boiling points, densities and water-solubilities, and these properties are important in understanding the adsorption of gases on charcoal. We show that empirical scales that measure hydrogen-bonding interactions can be correlated with the electrostatic properties of the molecules which agrees with previous worker's assessment that the hydrogen-bonding interaction is electrostatic in nature. Correlations both with single molecule properties as well as with the interaction energy between two molecules are found. This establishes a method for calculating these important properties which were previously available only through experiment or empirical scales. 12 refs., 3 figs.
|
| 536 |
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|b W-7405-ENG-36.
|
| 650 |
|
7 |
|a Hydrogen.
|2 local.
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| 650 |
|
7 |
|a Chemical Bonds.
|2 local.
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| 650 |
|
7 |
|a Adsorption.
|2 local.
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| 650 |
|
7 |
|a Alcohols.
|2 local.
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| 650 |
|
7 |
|a Amides.
|2 local.
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| 650 |
|
7 |
|a Carboxylic Acids.
|2 local.
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| 650 |
|
7 |
|a Charcoal.
|2 local.
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| 650 |
|
7 |
|a Electrostatics.
|2 local.
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| 650 |
|
7 |
|a Fluorinated Aliphatic Hydrocarbons.
|2 local.
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| 650 |
|
7 |
|a Hydrocarbons.
|2 local.
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| 650 |
|
7 |
|a Sorptive Properties.
|2 local.
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| 650 |
|
7 |
|a Adsorbents.
|2 local.
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| 650 |
|
7 |
|a Elements.
|2 local.
|
| 650 |
|
7 |
|a Halogenated Aliphatic Hydrocarbons.
|2 local.
|
| 650 |
|
7 |
|a Hydroxy Compounds.
|2 local.
|
| 650 |
|
7 |
|a Nonmetals.
|2 local.
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| 650 |
|
7 |
|a Organic Acids.
|2 local.
|
| 650 |
|
7 |
|a Organic Compounds.
|2 local.
|
| 650 |
|
7 |
|a Organic Fluorine Compounds.
|2 local.
|
| 650 |
|
7 |
|a Organic Halogen Compounds.
|2 local.
|
| 650 |
|
7 |
|a Organic Nitrogen Compounds.
|2 local.
|
| 650 |
|
7 |
|a Sorption.
|2 local.
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| 650 |
|
7 |
|a Surface Properties.
|2 local.
|
| 650 |
|
7 |
|a Inorganic, Organic, Physical And Analytical Chemistry.
|2 edbsc.
|
| 710 |
2 |
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|a Los Alamos National Laboratory.
|4 res.
|
| 710 |
1 |
|
|a United States.
|b Department of Energy.
|b Office of the Assistant Secretary for Defense Programs.
|4 spn.
|
| 710 |
1 |
|
|a United States.
|b Department of Energy.
|b Office of Scientific and Technical Information.
|4 dst.
|
| 856 |
4 |
0 |
|u http://www.osti.gov/scitech/biblio/7257689
|z Online Access
|
| 907 |
|
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|a .b59989609
|b 03-06-23
|c 05-28-10
|
| 998 |
|
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|a web
|b 09-09-16
|c f
|d m
|e p
|f eng
|g
|h 4
|i 3
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| 956 |
|
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|a Information bridge
|
| 999 |
f |
f |
|i 1cdebaec-631d-55cc-bf64-f15900235f57
|s 2f65ed0e-ba6f-5869-8552-e24c20370247
|
| 952 |
f |
f |
|p Can circulate
|a University of Colorado Boulder
|b Online
|c Online
|d Online
|e E 1.99: conf-8911171--1
|h Superintendent of Documents classification
|i web
|n 1
|
