Cycloaddition reactions of cyanogen (C2N2) on the Si(100)-2×1 surface

Journal of Chemical Physics

Volumn 121, Issue 11, 2004, Pages 5445-5450

  Lim, Chultack ^a   Choi, Cheol Ho ^a  

^a Kyungpook National University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

ADDITION REACTIONS; BUTADIENE; CHEMICAL BONDS; ISOMERIZATION; MORPHOLOGY; PROBABILITY DENSITY FUNCTION; SEMICONDUCTING SILICON; SILICON CARBIDE; SILICON NITRIDE; SURFACE REACTIONS; SURFACE STRUCTURE;

CONJUGATED SYSTEMS; MOLECULAR MECHANICS; SURFACE ISOMERIZATION; SURFACE TEMPERATURE;

NITROGEN COMPOUNDS;

EID: 4944226760     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1781115     Document Type: Article

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42. Even after various trials, we were not able to locate their transition state either with DFT and CASSCF theories. Therefore, we are not certain that their transition state exists.