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Volumn 80, Issue 1, 2002, Pages 25-30
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Electron-spin conservation and methyl-substitution effects on bonds in closed- and open-shell systems - A G3 ab initio study of small boron-containing molecules and radicals
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Author keywords
Ab initio calculations; Bond dissociation energy; Organoboron compounds; Thermochemistry
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Indexed keywords
BOND STRENGTH (CHEMICAL);
CHEMICAL BONDS;
DISSOCIATION;
FREE RADICALS;
MOLECULES;
SUBSTITUTION REACTIONS;
THERMODYNAMICS;
ELECTRON SPIN CONSERVATION;
MOLECULAR ORBITAL THEORY;
THERMOCHEMISTRY;
BORON COMPOUNDS;
BORON;
FREE RADICAL;
METHYL GROUP;
AB INITIO CALCULATION;
ARTICLE;
CHEMICAL BOND;
DISSOCIATION;
ENERGY;
GEOMETRY;
ION TRANSPORT;
THERMODYNAMICS;
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EID: 0036188439
PISSN: 00084042
EISSN: None
Source Type: Journal
DOI: 10.1139/v01-185 Document Type: Article |
Times cited : (8)
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References (33)
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