Surface-sensitive and surface-specific ultrafast two-dimensional vibrational spectroscopy
Ultrafast two-dimensional infrared spectroscopy (2D IR) has been advanced in recent years
toward measuring signals from only a monolayer of sample molecules at solid–liquid and …
toward measuring signals from only a monolayer of sample molecules at solid–liquid and …
Study of Heat Transfer Dynamics from Gold Nanorods to the Environment via Time-Resolved Infrared Spectroscopy
Studying the local solvent surrounding nanoparticles is important to understanding the
energy exchange dynamics between the particles and their environment, and there is a …
energy exchange dynamics between the particles and their environment, and there is a …
Structural origins of the electronic properties of materials via time-resolved infrared spectroscopy
KT Munson, ER Kennehan, JB Asbury - Journal of Materials Chemistry …, 2019 - pubs.rsc.org
Time-resolved mid-infrared (TRIR) spectroscopy offers new opportunities to investigate how
the molecular and structural properties of optoelectronic materials influence their electronic …
the molecular and structural properties of optoelectronic materials influence their electronic …
Panoramic portrait of primary molecular events preceding excited state proton transfer in water
Photochemistry powers numerous processes from luminescence and human vision, to light
harvesting. However, the elucidation of multidimensional photochemical reaction …
harvesting. However, the elucidation of multidimensional photochemical reaction …
Direct local solvent probing by transient infrared spectroscopy reveals the mechanism of hydrogen-bond induced nonradiative deactivation
The fluorescence quenching of organic dyes via H-bonding interactions is a well-known
phenomenon. However, the mechanism of this Hydrogen-Bond Induced Nonradiative …
phenomenon. However, the mechanism of this Hydrogen-Bond Induced Nonradiative …
The full dynamics of energy relaxation in large organic molecules: from photo-excitation to solvent heating
In some molecular systems, such as nucleobases, polyenes or the active ingredients of
sunscreens, substantial amounts of photo-excitation energy are dissipated on a sub …
sunscreens, substantial amounts of photo-excitation energy are dissipated on a sub …
Catalytic H 2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: Account from DFT on the interplay of related issues and proposed solutions
This perspective aims at illustrating a computational viewpoint on some specific issues
concerning structure–activity relationships related to [FeFe]-hydrogenase ([FeFe]-H2ase) …
concerning structure–activity relationships related to [FeFe]-hydrogenase ([FeFe]-H2ase) …
Observing ground state vibrational coherence and excited state relaxation dynamics of a cyanine dye in pure solvents
Using a degenerate pump probe technique at 800 nm, Ground State Vibrational Coherence
(GSVC) of a cyanine dye (IR780) is explored in various solvents. Five representative …
(GSVC) of a cyanine dye (IR780) is explored in various solvents. Five representative …
4a,4b-Dihydrophenanthrene → cis-stilbene photoconversion: TD-DFT/DFT study
EV Savchenko, VV Kostjukov - Journal of Molecular Modeling, 2024 - Springer
Abstract Context DHP→ CS photoconversion was analyzed in terms of electron density
redistribution for the first time. The following explanation for the non-recovery of the C4a-C4b …
redistribution for the first time. The following explanation for the non-recovery of the C4a-C4b …
Nonadiabatic transition paths from quantum jump trajectories
We present a means of studying rare reactive pathways in open quantum systems using
transition path theory and ensembles of quantum jump trajectories. This approach allows for …
transition path theory and ensembles of quantum jump trajectories. This approach allows for …