Add to ORKGThis study highlights the great importance of even small perturbations in molecular geometry for the definition of chiroptical properties, and therefore for the stereochemical characterization, of chiral drugs. A thorough DFT conformational analysis and TD-DFT calculations were needed for a reliable assessment of the absolute configuration of a (3R)-3-hydroxy-4-thienyl-β-lactam derivative, for which semi-empirical β-lactam sector rules failed to predict the correct stereochemistry. [Chirality 2012, 24, 741
none3noThe close relationship between chirality and the differential interaction with polarised radi...
Quantum chemical (QC) predictions of vibrational circular dichroism (VCD) spectra for the keto form ...
It is well established that chiroptical responses, based on the unique reaction to circularly polari...
This study highlights the great importance of even small perturbations in molecular geometry for the...
This is the peer reviewed version of the article which has been published in final form on Chirality...
The effect of conformational flexibility on the chiroptical properties of a series of synthetic (3R)...
β-lactam rings play a key role in medicinal chemistry: β-lactam derivatives are widely used in ther...
This paper’s main objective is to show that many different factors must be considered when solving s...
Chirality is of paramount importance in chemistry and life sciences. Electronic circular dichroism (...
ASYMMETRIC SYNTHESIS , CONFORMATIONAL ANALYSIS, CHIROPTICAL PROPERTIES AND ABSOLUTE CONFIGURATION O...
It is well known that stereoisomerism may play exceptional effects in the case of drugs with regard ...
We demonstrate that derivatization of the OH group of endo-borneol, 1, leads to conformational rigid...
The assignment of the absolute configuration (AC) of two conformational flexible organic molecules b...
Genesis of chirality and its link to the origin of life continue to intrigue scientists. Chirality a...
Chiral dinaphthoazepines are important chirality inducers in enantioselective organometallic catalys...
none3noThe close relationship between chirality and the differential interaction with polarised radi...
Quantum chemical (QC) predictions of vibrational circular dichroism (VCD) spectra for the keto form ...
It is well established that chiroptical responses, based on the unique reaction to circularly polari...
This study highlights the great importance of even small perturbations in molecular geometry for the...
This is the peer reviewed version of the article which has been published in final form on Chirality...
The effect of conformational flexibility on the chiroptical properties of a series of synthetic (3R)...
β-lactam rings play a key role in medicinal chemistry: β-lactam derivatives are widely used in ther...
This paper’s main objective is to show that many different factors must be considered when solving s...
Chirality is of paramount importance in chemistry and life sciences. Electronic circular dichroism (...
ASYMMETRIC SYNTHESIS , CONFORMATIONAL ANALYSIS, CHIROPTICAL PROPERTIES AND ABSOLUTE CONFIGURATION O...
It is well known that stereoisomerism may play exceptional effects in the case of drugs with regard ...
We demonstrate that derivatization of the OH group of endo-borneol, 1, leads to conformational rigid...
The assignment of the absolute configuration (AC) of two conformational flexible organic molecules b...
Genesis of chirality and its link to the origin of life continue to intrigue scientists. Chirality a...
Chiral dinaphthoazepines are important chirality inducers in enantioselective organometallic catalys...
none3noThe close relationship between chirality and the differential interaction with polarised radi...
Quantum chemical (QC) predictions of vibrational circular dichroism (VCD) spectra for the keto form ...
It is well established that chiroptical responses, based on the unique reaction to circularly polari...