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 …

Empirical force‐field calculations on biological molecules represent an effective method to
obtain atomic detail information on the relationship of their structure to their function. Results …

A UV–Vis spectroscopic study based on the recently developed chemometric approach for
quantitative analysis of undefined mixtures is performed on a series of donor and acceptor …

The B3LYP density functional studies on the mechanism of the SN2-substitution reaction of
methyl halides and epoxides with lithium organocuprates (I),(CH3) 2CuLi⊙ LiCl and [(CH3) …

We have investigated several 1, 3-dipolar cycloadditions of a chiral nitrone prepared from l-
erythrulose. While cycloadditions to carbon− carbon multiple bonds of dipolarophiles such …

We have performed a detailed study of the title reaction, which is the key step of one of the
most realistic processes suggested for the prebiotic synthesis of amino acids. From a …

The molecular mechanism for the inverse electron demand 1, 3‐dipolar cycloaddition of
nitrones with vinyl ethers has been characterized using density functional theory methods …

Great progress has been made in the experimental and theoretical investigation of
tautomerism of five-membered ring systems since 1975, and a number of reviews dealing …

The conformational behavior of β-alanine zwitterion in aqueous solution has been
investigated by post-Hartree− Fock and density functional methods using the polarizable …

Oxidation of histidine by OH* radicals has been studied at room temperature over a large
range of pH values in a Ti3+/EDTA/H2O2− Fenton system using a special EPR continuous …