The effect of geometry optimization on the reaction barrier height: SCF and MP2 studies of the dissociation and isomerization reactions of formaldehyde
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Media type:
E-Article
Title:
The effect of geometry optimization on the reaction barrier height: SCF and MP2 studies of the dissociation and isomerization reactions of formaldehyde
Contributor:
Havlas, Zdeněk;
Kovář, Tomáš;
Zahradník, Rudolf
Published:
Elsevier BV, 1986
Published in:
Journal of Molecular Structure: THEOCHEM, 136 (1986) 3-4, Seite 239-245