scholarly journals Tribute to Josef Michl

Chemistry ◽  
2021 ◽  
Vol 3 (1) ◽  
pp. 440-443
Author(s):  
Igor Alabugin ◽  
Petr Klán
Keyword(s):  
Quantum Chemistry ◽  
Supramolecular Chemistry ◽  
Vibrational Spectroscopy ◽  
Magnetic Circular Dichroism ◽  
Molecular Machines ◽  
80Th Birthday ◽  
Singlet Fission ◽  
Great Pleasure ◽  
Boron Chemistry ◽  
Organic Photochemistry

It is our great pleasure to introduce the Festschrift of Chemistry to honor professor Josef Michl (Figure 1) on the occasion of his 80th birthday and to recognize his exceptional contributions to the fields of organic photochemistry, quantum chemistry, biradicals and biradicaloids, electronic and vibrational spectroscopy, magnetic circular dichroism, silicon and boron chemistry, supramolecular chemistry, singlet fission, and molecular machines [...]

Study of the mechanism of the thermochemical reaction of polyimides with hydroxyl groups via vibrational-spectroscopy and quantum-chemistry methods

2011 ◽  
Vol 53 (9) ◽  
pp. 791-799 ◽  
Author(s):  
O. Yu. Rusakova ◽  
Yu. V. Kostina ◽  
A. S. Rodionov ◽  
G. N. Bondarenko ◽  
A. Yu. Alent’ev ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Vibrational Spectroscopy ◽  
Hydroxyl Groups ◽  
Thermochemical Reaction

CH⋯Ni interactions and cyano-bridged heteronuclear polymeric complexes studied by vibrational spectroscopy and quantum chemistry calculations

2014 ◽  
Vol 71 ◽  
pp. 105-114 ◽  
Author(s):  
Güneş Süheyla Kürkçüoğlu ◽  
Elvan Sayın ◽  
Kansu Gör ◽  
Taner Arslan ◽  
Orhan Büyükgüngör
Keyword(s):  
Quantum Chemistry ◽  
Vibrational Spectroscopy ◽  
Quantum Chemistry Calculations ◽  
Polymeric Complexes

Unstable 1,1,2,2-Tetramethyl-1,2-disilacyclobutane and Its Polymerization. Vibrational Spectroscopy and Quantum-Chemistry Study

2012 ◽  
Vol 31 (20) ◽  
pp. 7063-7073 ◽  
Author(s):  
Vitaly G. Avakyan ◽  
Sergey S. Bukalov ◽  
Rinat R. Aysin ◽  
Larissa A. Leites
Keyword(s):  
Quantum Chemistry ◽  
Vibrational Spectroscopy

scholarly journals Study of Sulfur Isotopes by Vibrational Spectroscopy and Quantum Chemistry

2016 ◽  
Vol 8 (36) ◽  
Author(s):  
O. Kh. Poleshchuk ◽  
N. B. Egorov ◽  
D. V. Akimov ◽  
I. I. Zherin ◽  
N. A. Zhuravlev
Keyword(s):  
Quantum Chemistry ◽  
Vibrational Spectroscopy ◽  
Sulfur Isotopes

scholarly journals Tailoring ultrafast singlet fission by structural modification of phenazinothiadiazoles

2019 ◽  
Vol 205 ◽  
pp. 09013
Author(s):  
N. Alagna ◽  
J. Han ◽  
J. Herz ◽  
J. L. Perez Lustres ◽  
S. Hahn ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Coupling Strength ◽  
Structural Modification ◽  
Transient Absorption ◽  
Energy Gap ◽  
Singlet Fission ◽  
Ultrafast Transient Absorption ◽  
Quantum Chemistry Calculations ◽  
Functionalized Tips

Ultrafast transient absorption and quantum chemistry calculations are combined to demonstrate singlet fission in newly functionalized TIPS-Tetracenes. The coupling strength (but not the energy gap) between Si and ’(TT) states gauges singlet fission efficiency and rate.

scholarly journals Study of sulfur isotopes by vibrational spectroscopy and quantum chemistry

2016 ◽  
Vol 112 ◽  
pp. 012005
Author(s):  
O Kh Poleshchuk ◽  
N B Egorov ◽  
D V Akimov ◽  
I I Zherin ◽  
N A Zhuravlev
Keyword(s):  
Quantum Chemistry ◽  
Vibrational Spectroscopy ◽  
Sulfur Isotopes

Improvement of the electrochemical and singlet fission properties of anthraquinones by modification of the diradical character

2019 ◽  
Vol 21 (15) ◽  
pp. 7941-7952 ◽  
Author(s):  
Diego López-Carballeira ◽  
María Zubiria ◽  
David Casanova ◽  
Fernando Ruipérez
Keyword(s):  
Electronic Structure ◽  
Quantum Chemistry ◽  
Structural Modification ◽  
Singlet Fission ◽  
Diradical Character ◽  
Common Strategy

Quantum chemistry is employed to estimate the effects that the structural modification of 1,5- and 9,10-anthraquinones produces in their electronic structure, in the pursuit of a common strategy to improve the electrochemical and singlet fission features on conjugated quinones.

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