Notes on the secular determinant in molecular orbital theory

1950 ◽  
Vol 46 (1) ◽  
pp. 202-205 ◽  
Author(s):  
C. A. Coulson
Keyword(s):  
Molecular Orbital ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Secular Determinant

scholarly journals Application of Huckel Molecular Orbital Theory (HMO) on Hetero-Conjugated Molecule, 3-Aminopropenal

2001 ◽  
Vol 71 (3) ◽  
pp. 460-465
Author(s):  
Biljana B. Arsic ◽  
Jovica V. Urosevic ◽  
Miroslav M. Mitic
Keyword(s):  
Quantum Mechanics ◽  
Carbonyl Group ◽  
Molecular Orbital ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Conjugation System ◽  
Chemistry Students ◽  
Hückel Molecular Orbital Theory ◽  
Secular Determinant ◽  
Conjugated Molecule

Very often the application of quantum mechanics into chemistry represents a challenging task for chemistry students. However, this can be very usual exercise, and we have shown the easiness on the molecule of 3-aminopropenal, which is an interesting example because of the existence of the conjugation system consisting of the carbonyl group, alkenyl system and the lone electronic pair on nitrogen without any symmetry. Coefficients obtained using the Huckel secular determinant were -2.0484, -1.7328, -0.7827, +0.4892 and +1.5747.

Bonding in Transition Metal Silyl Dimers. Molecular Orbital Theory

1989 ◽  
Author(s):  
Alfred B. Anderson ◽  
Paul Shiller ◽  
Eugene A. Zarate ◽  
Claire A. Tessier-Youngs ◽  
Wiley J. Youngs
Keyword(s):  
Transition Metal ◽  
Molecular Orbital ◽  
Molecular Orbital Theory ◽  
Orbital Theory

scholarly journals A Molecular Orbital Theory of Reactivity in the Hydrogen Migration Polymerization of Acrylamides

1966 ◽  
Vol 87 (1) ◽  
pp. 20-26,A1 ◽  
Author(s):  
Teijiro YONEZAWA ◽  
Kiyoshi SHIMIZU ◽  
Hiroshi KATO ◽  
Kenichi FUKUI
Keyword(s):  
Molecular Orbital ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Hydrogen Migration
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