scholarly journals Microhydration of substituted diamondoid radical cations of biological relevance: infrared spectra of amantadine+-(H2O)n = 1–3 clusters

2020 ◽  
Vol 22 (48) ◽  
pp. 28123-28139
Author(s):  
Martin Andreas Robert George ◽  
Friedrich Buttenberg ◽  
Marko Förstel ◽  
Otto Dopfer
Keyword(s):  
Infrared Spectroscopy ◽  
Quantum Chemical Calculations ◽  
Radical Cation ◽  
Infrared Spectra ◽  
Quantum Chemical ◽  
Radical Cations ◽  
Pharmaceutical Drug ◽  
Biological Relevance ◽  
Hydrated Clusters

Stepwise microhydration of the radical cation of the pharmaceutical drug amantadine is characterized by infrared spectroscopy and quantum chemical calculations of size-selected hydrated clusters.

Infrared Spectra and Quantum Chemical Calculations of the Bridge-Bonded HC(F)LnF2(Ln = La–Lu) Complexes

2011 ◽  
Vol 30 (16) ◽  
pp. 4443-4452 ◽  
Author(s):  
Yu Gong ◽  
Xuefeng Wang ◽  
Lester Andrews ◽  
Mingyang Chen ◽  
David A. Dixon
Keyword(s):  
Quantum Chemical Calculations ◽  
Infrared Spectra ◽  
Quantum Chemical

Infrared Spectra and Quantum Chemical Calculations of the Uranium Carbide Molecules UC and CUC with Triple Bonds

2010 ◽  
Vol 132 (24) ◽  
pp. 8484-8488 ◽  
Author(s):  
Xuefeng Wang ◽  
Lester Andrews ◽  
Per-Åke Malmqvist ◽  
Björn O. Roos ◽  
António P. Gonçalves ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Infrared Spectra ◽  
Quantum Chemical ◽  
Uranium Carbide ◽  
Triple Bonds

Infrared Spectra of12CF2═12CH2and12CF2═13CH2, Quantum-Chemical Calculations of Anharmonicity, and Analyses of Resonances

2010 ◽  
Vol 114 (18) ◽  
pp. 5728-5742 ◽  
Author(s):  
Donald C. McKean ◽  
Benjamin van der Veken ◽  
Wouter Herrebout ◽  
Mark M. Law ◽  
Michael J. Brenner ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Infrared Spectra ◽  
Quantum Chemical
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