Vibrational spectroscopic map, vibrational spectroscopy, and intermolecular interaction
Vibrational spectroscopy is an essential tool in chemical analyses, biological assays, and
studies of functional materials. Over the past decade, various coherent nonlinear vibrational …
studies of functional materials. Over the past decade, various coherent nonlinear vibrational …
Cryogenic ion chemistry and spectroscopy
The use of mass spectrometry in macromolecular analysis is an incredibly important
technique and has allowed efficient identification of secondary and tertiary protein …
technique and has allowed efficient identification of secondary and tertiary protein …
[ספר][B] Ultrafast infrared vibrational spectroscopy
MD Fayer - 2013 - books.google.com
The advent of laser-based sources of ultrafast infrared pulses has extended the study of very
fast molecular dynamics to the observation of processes manifested through their effects on …
fast molecular dynamics to the observation of processes manifested through their effects on …
Two-dimensional infrared spectroscopy reveals the complex behaviour of an amyloid fibril inhibitor
Amyloid formation has been implicated in the pathology of over 20 human diseases, but the
rational design of amyloid inhibitors is hampered by a lack of structural information about …
rational design of amyloid inhibitors is hampered by a lack of structural information about …
Development and validation of transferable amide I vibrational frequency maps for peptides
Infrared (IR) spectroscopy of the amide I band has been widely utilized for the analysis of
peptides and proteins. Theoretical modeling of IR spectra of proteins requires an accurate …
peptides and proteins. Theoretical modeling of IR spectra of proteins requires an accurate …
Computational amide I 2D IR spectroscopy as a probe of protein structure and dynamics
Two-dimensional infrared spectroscopy of amide I vibrations is increasingly being used to
study the structure and dynamics of proteins and peptides. Amide I, a primarily carbonyl …
study the structure and dynamics of proteins and peptides. Amide I, a primarily carbonyl …
An Empirical IR Frequency Map for Ester C O Stretching Vibrations
We present an approach for parametrizing spectroscopic maps of carbonyl groups against
experimental IR absorption spectra. The model correlates electric fields sampled from …
experimental IR absorption spectra. The model correlates electric fields sampled from …
Electrostatic frequency shifts in amide I vibrational spectra: Direct parameterization against experiment
The interpretation of protein amide I infrared spectra has been greatly assisted by the
observation that the vibrational frequency of a peptide unit reports on its local electrostatic …
observation that the vibrational frequency of a peptide unit reports on its local electrostatic …
Two-dimensional infrared spectroscopy and molecular dynamics simulation studies of nonaqueous lithium ion battery electrolytes
Lithium ion battery (LIB) technology is undoubtedly indispensable to modern life. However,
despite enormous and extended effort to improve LIB performance, our understanding of the …
despite enormous and extended effort to improve LIB performance, our understanding of the …
Revealing the solvation structure and dynamics of carbonate electrolytes in lithium-ion batteries by two-dimensional infrared spectrum modeling
Carbonate electrolytes in lithium-ion batteries play a crucial role in conducting lithium ions
between two electrodes. Mixed solvent electrolytes consisting of linear and cyclic …
between two electrodes. Mixed solvent electrolytes consisting of linear and cyclic …