It is a paradigm in chemistry that chemical reaction are mainly governed by thermodynamics. Within this assumption, reaction rates can be derived from transition state theory which requires a quasi-equilibrium…
Metallaphotoredox chemistry has recently witnessed a renaissance through the use of abundant first-row transition metals combined with suitable photocatalysts. The intricate details arising from the combination of two (or more)…
Molecular simulations are becoming a common tool for the investigation of dynamic and thermodynamic properties of novel solvents such as ionic liquids and the more recent deep eutectic solvents. As…
Femtosecond X-ray pulse lasers are promising probes for elucidating the multi-conformational states of biomolecules because they enable snapshots of single biomolecules to be observed as coherent diffraction images. Multi-image processing…
SARS-CoV-2 uses its spike protein receptor-binding domain (RBD) to interact with the angiotensin-converting enzyme 2 (ACE2) receptor on host cells. Inhibitors of the RBD-ACE2 interaction are therefore promising drug candidates…
Converting carbon dioxide (CO2) into valuable products is one of the most important processes for a sustainable society. Especially, the electrochemical CO2 reduction reaction (CO2RR) offers an effective means, but…
Selective CO2 capture and electrochemical conversion is an important tool in the fight against climate change. Industrially, CO2 is captured using a variety of aprotic solvents due to their high…
{Using|Utilizing|Making use of|Employing|Working with|Applying} the ab initio {multiple|numerous|several|a number of|many|various} cloning (AIMC) {method|technique|approach|strategy|system|process}, {fully|totally|completely} quantum dynamics {were|had been|have been} simulated for imidazole and its structural isomer pyrazole {along with|together with|in…
Molecular motions are ubiquitous in nature and they immutably play intrinsic roles in all actions. However, exploring appropriate models to decipher molecular motions is an extremely important but very challenging…
Optical imaging of changes in membrane potential of living cells can be achieved by the means of fluorescent voltage sensitive dyes (VSDs). A particularly challenging task is to efficiently deliver…