Theoretical modeling of infrared spectra of salicylaldehyde and its deuterated derivatives*

2002 ◽  
Vol 90 (2) ◽  
pp. 689-698 ◽  
Author(s):  
Marek Boczar ◽  
Marek J. Wójcik ◽  
Krzysztof Szczeponek ◽  
Dorota Jamróz ◽  
Susumu Ikeda
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Infrared Spectra ◽  
Theoretical Modeling

Theoretical modeling of infrared spectra of aspirin and its deuterated derivative

2003 ◽  
Vol 286 (1) ◽  
pp. 63-79 ◽  
Author(s):  
Marek Boczar ◽  
Marek J. Wójcik ◽  
Krzysztof Szczeponek ◽  
Dorota Jamróz ◽  
Adam Zięba ◽  
...  
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Infrared Spectra ◽  
Theoretical Modeling ◽  
Deuterated Derivative

Irradiation effect on infrared spectra of LiF:OH crystals: Theoretical modeling

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Vol 521 ◽  
pp. 258-263 ◽  
Author(s):  
Talgat Inerbaev ◽  
Alma Dauletbekova ◽  
Ainash Abdrakhmetova
Keyword(s):  
Infrared Spectra ◽  
Theoretical Modeling ◽  
Irradiation Effect

Theoretical modeling of infrared spectra of benzoic acid and its deuterated derivative

2004 ◽  
Vol 700 (1-3) ◽  
pp. 39-48 ◽  
Author(s):  
Marek Boczar ◽  
Krzysztof Szczeponek ◽  
Marek J. Wójcik ◽  
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Benzoic Acid ◽  
Infrared Spectra ◽  
Theoretical Modeling ◽  
Deuterated Derivative

Effect of resonance dipole-dipole interaction on the infrared spectra of adsorbed CF4. Experimental investigation and theoretical modeling

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Vol 354 ◽  
pp. 4-10 ◽  
Author(s):  
Anna N. Dobrotvorskaia ◽  
Alevtina V. Gatilova ◽  
Petr D. Murzin ◽  
Aida V. Rudakova ◽  
Dmitriy N. Shchepkin ◽  
...  
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Experimental Investigation ◽  
Infrared Spectra ◽  
Dipole Interaction ◽  
Theoretical Modeling

Theoretical modeling of infrared spectra of the hydrogen and deuterium bond in aspirin crystal

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Vol 75 (1) ◽  
pp. 37-47 ◽  
Author(s):  
Houcine Ghalla ◽  
Najeh Rekik ◽  
Anna Michta ◽  
Brahim Oujia ◽  
Henryk T. Flakus
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Infrared Spectra ◽  
Theoretical Modeling

The role of ligands in electron transport in nanocrystal solids

Nanoscale ◽  
2020 ◽  
Vol 12 (45) ◽  
pp. 23028-23035
Author(s):  
Artem R. Khabibullin ◽  
Alexander L. Efros ◽  
Steven C. Erwin
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Theoretical Modeling

Theoretical modeling of wavefunction overlap in nanocrystal solids elucidates the important role played by ligands in electron transport.

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Vol 432 (1) ◽  
pp. 181-187 ◽  
Author(s):  
E. Meyer-Hofmeister ◽  
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F. Meyer
Keyword(s):  
Theoretical Modeling ◽  
State Transitions ◽  
Spectral State
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