The Role of Hydrogen-Bonding Interactions in the Ultrafast Relaxation Dynamics of the Excited States of 3- and 4-Aminofluoren-9-ones

ChemPhysChem ◽  
2009 ◽  
Vol 10 (17) ◽  
pp. 2995-3012 ◽  
Author(s):  
Jahur A. Mondal ◽  
Vaishali Samant ◽  
Mahendra Varne ◽  
Ajay K. Singh ◽  
Tapan K. Ghanty ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Excited States ◽  
Relaxation Dynamics ◽  
Ultrafast Relaxation ◽  
Hydrogen Bonding Interactions

scholarly journals Ultrafast Relaxation Dynamics of Highly-excited States in N2Molecules Excited by Femtosecond XUV Pulses

2013 ◽  
Vol 41 ◽  
pp. 02004
Author(s):  
Matteo Lucchini ◽  
Kyung Seung Kim ◽  
Francesca Calegari ◽  
Freek Kelkensberg ◽  
Wing Kiu Siu ◽  
...  
Keyword(s):  
Excited States ◽  
Relaxation Dynamics ◽  
Ultrafast Relaxation

The unique functional role of the C–H⋯S hydrogen bond in the substrate specificity and enzyme catalysis of type 1 methionine aminopeptidase

2016 ◽  
Vol 12 (8) ◽  
pp. 2408-2416 ◽  
Author(s):  
Ravikumar Reddi ◽  
Kiran Kumar Singarapu ◽  
Debnath Pal ◽  
Anthony Addlagatta
Keyword(s):  
Hydrogen Bonding ◽  
Enzyme Catalysis ◽  
Functional Role ◽  
Methionine Aminopeptidase ◽  
Recognition Specificity ◽  
Hydrogen Bonding Interactions ◽  
Polar Interactions ◽  
Aminopeptidase P

Unique C–H⋯S hydrogen bonding interactions allow nature to attain recognition specificity between molecular interfaces where there is no apparent scope for classical hydrogen bonding or polar interactions.

scholarly journals Autoionization and ultrafast relaxation dynamics of highly excited states in N2

2012 ◽  
Vol 86 (4) ◽  
Author(s):  
M. Lucchini ◽  
K. Kim ◽  
F. Calegari ◽  
F. Kelkensberg ◽  
W. Siu ◽  
...  
Keyword(s):  
Excited States ◽  
Relaxation Dynamics ◽  
Ultrafast Relaxation

scholarly journals Simulating Absorption Spectra of Flavonoids in Aqueous Solution: A Polarizable QM/MM Study

Molecules ◽  
2020 ◽  
Vol 25 (24) ◽  
pp. 5853
Author(s):  
Sulejman Skoko ◽  
Matteo Ambrosetti ◽  
Tommaso Giovannini ◽  
Chiara Cappelli
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Hydrogen Bonding ◽  
Force Field ◽  
Absorption Spectra ◽  
Computational Study ◽  
Md Simulations ◽  
Quantum Mechanical ◽  
Hydrogen Bonding Interactions

We present a detailed computational study of the UV/Vis spectra of four relevant flavonoids in aqueous solution, namely luteolin, kaempferol, quercetin, and myricetin. The absorption spectra are simulated by exploiting a fully polarizable quantum mechanical (QM)/molecular mechanics (MM) model, based on the fluctuating charge (FQ) force field. Such a model is coupled with configurational sampling obtained by performing classical molecular dynamics (MD) simulations. The calculated QM/FQ spectra are compared with the experiments. We show that an accurate reproduction of the UV/Vis spectra of the selected flavonoids can be obtained by appropriately taking into account the role of configurational sampling, polarization, and hydrogen bonding interactions.

The role of amplified spontaneous emission in the ultrafast relaxation dynamics of polymer films

1998 ◽  
Vol 289 (1-2) ◽  
pp. 205-210 ◽  
Author(s):  
S. Stagira ◽  
M. Nisoli ◽  
G. Cerullo ◽  
M. Zavelani–Rossi ◽  
S. De Silvestri ◽  
...  
Keyword(s):  
Spontaneous Emission ◽  
Polymer Films ◽  
Amplified Spontaneous Emission ◽  
Relaxation Dynamics ◽  
Ultrafast Relaxation

scholarly journals Towards Understanding Photodegradation Pathways in Lignins: The Role of Intramolecular Hydrogen Bonding in Excited States

2014 ◽  
Vol 5 (12) ◽  
pp. 2138-2143 ◽  
Author(s):  
Jamie D. Young ◽  
Michael Staniforth ◽  
Jacob C. Dean ◽  
Gareth M. Roberts ◽  
Federico Mazzoni ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Excited States ◽  
Intramolecular Hydrogen Bonding ◽  
Intramolecular Hydrogen
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