Hydrogen-bonded structures of pyrrole-solvent clusters: Infrared cavity ringdown spectroscopy and quantum chemical calculations

2009 ◽  
Vol 130 (5) ◽  
pp. 054311 ◽  
Author(s):  
Yoshiteru Matsumoto ◽  
Kenji Honma
Keyword(s):  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Cavity Ringdown Spectroscopy ◽  
Cavity Ringdown ◽  
Solvent Clusters ◽  
Hydrogen Bonded

Lowest triplet (n,π*) state of 2-cyclohexen-1-one: Characterization by cavity ringdown spectroscopy and quantum-chemical calculations

2013 ◽  
Vol 139 (21) ◽  
pp. 214311 ◽  
Author(s):  
Michael O. McAnally ◽  
Katherine L. Zabronsky ◽  
Daniel J. Stupca ◽  
Kaitlyn Phillipson ◽  
Nathan R. Pillsbury ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Cavity Ringdown Spectroscopy ◽  
Cavity Ringdown ◽  
Π State

Theoretical Studies on Molecular Determinants for Recognition at H3 Histamine Receptors

1994 ◽  
Vol 49 (7-8) ◽  
pp. 471-475 ◽  
Author(s):  
Aleksander P. Mazurek ◽  
Grażyna Karpińska
Keyword(s):  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Active Form ◽  
Histamine Receptor ◽  
Histamine Receptors ◽  
Theoretical Studies ◽  
Crucial Importance ◽  
Molecular Determinants ◽  
Hydrogen Bonded

The determinants for recognition at H3 histamine receptors are considered. Findings based on quantum-chemical calculations suggest that H3 histamine receptor is less hydrophilic than the H2. The form most likely to be recognized by the H3 receptor is an intramolecularly hydrogen-bonded form of α-methylhistamine. Receptor environment and hydration effects of active form of histamine analogs are of crucial importance

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