Dyes: quantum chemical calculation of electronic spectra

2019 ◽  
Vol 4 (9) ◽  
Author(s):  
Heinz Mustroph
Keyword(s):  
Electronic Transition ◽  
Quantum Chemical ◽  
Transition Energy ◽  
Quantum Mechanical ◽  
Chemical Calculation ◽  
Absorption Process ◽  
Mechanical Theory ◽  
Absorption Bands ◽  
Quantum Mechanical Theory ◽  
Electronic Transition Energy

Abstract The basics of the quantum mechanical theory of the light absorption process, the simplifications of the theory in form of models and their application to dyes are reviewed. The factors governing the electronic transition energy, the intensity of the electronic transition and the vibrational fine structure of the absorption bands are examined.

The role of the basis set and the level of quantum mechanical theory in the prediction of the structure and reactivity of cisplatin

2012 ◽  
Vol 33 (29) ◽  
pp. 2292-2302 ◽  
Author(s):  
Diego Paschoal ◽  
Bruna L. Marcial ◽  
Juliana Fedoce Lopes ◽  
Wagner B. De Almeida ◽  
Hélio F. Dos Santos
Keyword(s):  
Basis Set ◽  
Quantum Mechanical ◽  
Mechanical Theory ◽  
Quantum Mechanical Theory

scholarly journals The Einstein–Infeld–Hoffmann legacy in mathematical relativity II. Quantum laws of motion for singularities of spacetime

2019 ◽  
Vol 28 (11) ◽  
pp. 1930018
Author(s):  
A. Shadi Tahvildar-Zadeh ◽  
Michael K. H. Kiessling
Keyword(s):  
Finite Number ◽  
Relativistic Quantum ◽  
Quantum Mechanical ◽  
Mechanical Theory ◽  
Quantum Mechanical Theory ◽  
Theory Of Motion ◽  
Recent Developments ◽  
Laws Of Motion

We report on recent developments toward a relativistic quantum-mechanical theory of motion for a fixed, finite number of electrons, photons and their anti-particles, as well as its possible generalizations to other particles and interactions.

More light on the low electronic transition energy bands of dithizone

1987 ◽  
Vol 43 (10) ◽  
pp. 1281-1285 ◽  
Author(s):  
M.R. Mahmoud ◽  
A.A.Abd El Gaber ◽  
A.M. El Roudi ◽  
E.M. Soliman
Keyword(s):  
Electronic Transition ◽  
Transition Energy ◽  
Energy Bands ◽  
Electronic Transition Energy
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