scholarly journals The Tautomeric Conformers for the Molecules of Guanine and Cytosine. Some Rem arks about Their Stability

1977 ◽  
Vol 32 (9-10) ◽  
pp. 870-873 ◽  
Author(s):  
Julio Marañon ◽  
Oscar M. Sorarrain
Keyword(s):  
Experimental Data ◽  
Triplet States ◽  
Excited Singlet ◽  
Singlet And Triplet States ◽  
Semi Empirical

Abstract In this paper we seek to determine the shape of the barrier between the normal and tautomeric conformers for some excited singlet and triplet states in the molecules of guanine and cytosine. The molecules are considered isolated and a particular movement of the H atom is analysed.The semi-empirical CNDO/2-CI has been used. The calculated results are compared with the available experimental data.

Thermal and photochemical reactivity of cyclopropene derivatives: a semi-empirical molecular orbital study

1977 ◽  
Vol 55 (13) ◽  
pp. 2482-2491 ◽  
Author(s):  
J. A. Pincock ◽  
R. J. Boyd
Keyword(s):  
Molecular Orbital ◽  
Ground State ◽  
Geometry Optimization ◽  
Triplet States ◽  
Excited Singlet ◽  
Photochemical Reactivity ◽  
Molecular Orbital Study ◽  
Singlet And Triplet States ◽  
Semi Empirical ◽  
Abinitio Calculations

The MINDO/3 semi-empirical MO method has been used to study the conversion of cyclopropene to vinyl carbene. In particular, the surfaces of the ground state and the first excited singlet and triplet states have been calculated. Additional calculations, including geometry optimization, have been carried out on vinyl substituted cyclopropenes. In general, the results are consistent with the known thermal and photochemical reactivities of cyclopropenes and the results of the few abinitio calculations on these species.

scholarly journals Organic molecules with inverted gaps between first excited singlet and triplet states and appreciable fluorescence rates

Matter ◽  
2021 ◽  
Author(s):  
Robert Pollice ◽  
Pascal Friederich ◽  
Cyrille Lavigne ◽  
Gabriel dos Passos Gomes ◽  
Alán Aspuru-Guzik
Keyword(s):  
Organic Molecules ◽  
Triplet States ◽  
Excited Singlet ◽  
Singlet And Triplet States

Photochemical reactions of 2,2?-furil. Solvent dependent photoreduction via the lowest excited singlet and triplet states

1992 ◽  
Vol 5 (6) ◽  
pp. 355-360 ◽  
Author(s):  
Hiroyasu Inoue ◽  
Tadamitsu Sakurai ◽  
Toshihiko Hoshi ◽  
Isao Ono ◽  
Jun Okubo
Keyword(s):  
Photochemical Reactions ◽  
Triplet States ◽  
Excited Singlet ◽  
Singlet And Triplet States
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