Molecular dimensions for adsorptives

Journal of the American Chemical Society

Volumn 120, Issue 22, 1998, Pages 5509-5516

  Webster, Charles Edwin ^a   Drago, Russell S ^a   Zerner, Michael C ^a  

^a University of Florida ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

SORBENT;

ADSORPTION; ARTICLE; CATALYST; MOLECULAR DYNAMICS; MOLECULAR SIZE; QUANTUM THEORY; SOLID STATE; THERMODYNAMICS;

EID: 0032503514     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja973906m     Document Type: Article

References (34)

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19. A common scaling of all van der Waal radii by 1.2 is used in most reaction field models to give good energies of solvation as well as excitation energies. The cube of this, 1.728, might be compared with the empirically determined slope of 1.733 of eq 3.
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29. k of butane as the same as propane. The minimum dimension (MIN-1) for propane and butane are the same, the difference is in MIN-2. MIN-2 in this article is quoted for an elongated butane. Although an elongated butane has less steric strain than a "cis"-butane, the elongated conformer has a larger apparent diameter.
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