Theoretical methods for the description of the solvent effect in biomolecular systems
The environment plays a key role in the determination of the properties and reactivity of
substances in condensed phases. The complexity of chemical phenomena in solution has …
substances in condensed phases. The complexity of chemical phenomena in solution has …
Twisted intramolecular charge transfer (TICT) controlled by dimerization: an overlooked piece of the TICT puzzle
AM El-Zohry, EA Orabi, M Karlsson… - The Journal of Physical …, 2021 - ACS Publications
Organic dyes have shown high efficiencies in solar cells, which is mainly attributed to the
push–pull strategy present in such dyes upon attaching to the semiconductor surfaces. We …
push–pull strategy present in such dyes upon attaching to the semiconductor surfaces. We …
Solvent and pH dependent fluorescent properties of a dimethylaminostyryl borondipyrromethene dye in solution
Steady-state and time-resolved fluorescence techniques have been used to study the
photophysical properties of the fluorescent BODIPY-derived dye 3-{2-[4-(dimethylamino) …
photophysical properties of the fluorescent BODIPY-derived dye 3-{2-[4-(dimethylamino) …
Beyond continuum solvent models in computational homogeneous catalysis
In homogeneous catalysis solvent is an inherent part of the catalytic system. As such, it must
be considered in the computational modeling. The most common approach to include …
be considered in the computational modeling. The most common approach to include …
Correlation of molecular structure and polarity of ionic liquids
S Spange, R Lungwitz, A Schade - Journal of Molecular Liquids, 2014 - Elsevier
Abstract The empirical Kamlet–Taft solvent parameters for hydrogen bond donating (HBD)
ability (α), hydrogen bond accepting (HBA) ability (β), and dipolarity/polarisability (π*) have …
ability (α), hydrogen bond accepting (HBA) ability (β), and dipolarity/polarisability (π*) have …
Overcoming product inhibition in catalysis of the intramolecular Schmidt reaction
HF Motiwala, C Fehl, SW Li, E Hirt… - Journal of the …, 2013 - ACS Publications
A method for carrying out the intramolecular Schmidt reaction of alkyl azides and ketones
using a substoichiometric amount of catalyst is reported. Following extensive screening, the …
using a substoichiometric amount of catalyst is reported. Following extensive screening, the …
Selective aerobic oxidation of benzyl alcohol on inexpensive and reusable ZnO/MnCO3 catalyst
HA Duarte, PJ Luggren, J Zelin, ME Sad, VK Diez… - Catalysis Today, 2022 - Elsevier
The selective synthesis of benzaldehyde (B) by oxidation of benzyl alcohol (BA) was studied
at 373 K using ZnO-MnCO 3 catalysts, O 2 as oxidant and mild reaction conditions. An …
at 373 K using ZnO-MnCO 3 catalysts, O 2 as oxidant and mild reaction conditions. An …
Solution calorimetry of organic nonelectrolytes as a tool for investigation of intermolecular interactions
BN Solomonov, VB Novikov - Journal of Physical Organic …, 2008 - Wiley Online Library
The paper is mainly the review and generalization of the previous publications of the
authors. It demonstrates that solution calorimetry method gives the opportunities of more …
authors. It demonstrates that solution calorimetry method gives the opportunities of more …
A new method for the extraction of specific interaction enthalpy from the enthalpy of solvation
BN Solomonov, VB Novikov… - Journal of physical …, 2005 - Wiley Online Library
A new, simple method for the extraction of specific interaction enthalpy from the enthalpy of
solvation is proposed. It is based on empirical but very general relationships describing the …
solvation is proposed. It is based on empirical but very general relationships describing the …
Ratiometric, fluorescent BODIPY dye with aza crown ether functionality: synthesis, solvatochromism, and metal ion complex formation
A new pH and metal ion-responsive BODIPY-based fluorescent probe with an aza crown
ether subunit has been synthesized via condensation of 4-(1, 4, 7, 10-tetraoxa-13-aza …
ether subunit has been synthesized via condensation of 4-(1, 4, 7, 10-tetraoxa-13-aza …