The IQ Consortium reports on the current state of process analytical technology (PAT) for
active pharmaceutical ingredient (API) development in branded pharmaceutical companies …

Molecular understanding of the role of protic solvents in a gamut of organic transformations
can be developed using density functional and ab initio computational studies focused on …

The reaction mechanisms of [4+ 2] cycloaddition reactions between dienes and dienophiles
have been investigated with several density functional theory (DFT) methods, such as CAM …

The oligomerization of cyclopentadiene (CPD) and its dimer, dicyclopentadiene (DCPD), to
tricyclopentadiene (TCPD) through Diels-Alder reaction at temperatures between 120 and …

The application of supported lipid bilayer systems as molecular sensors, diagnostic devices,
and medical implants is limited by their lack of stability. In an effort to enhance the stability of …

Several synthetic pathways towards racemic 5-phenylbicyclo [2.2. 2] oct-5-en-2-one 1 have
been devised starting with a Diels–Alder reaction of (cyclohexa-1, 5-dien-1-yloxy) …

Diels-Alder addition of dicyclopentadiene and cyclopentadiene in polar solvents has been
studied to produce tricyclopentadiene (TCPD) that is a potential high-density fuel precursor …

In imidazolium ILs, the negative charge delocalization induced by multiple electron-
withdrawing cyano groups can be useful in regulating the microscopic environment in …

In silico studies to probe the catalytic role of cucurbit[n]uril on [4+2] cycloaddition reaction
between cyclopentadiene and methyl acrylate - ScienceDirect Skip to main contentSkip to …

This paper reviews the application of molecular modelling techniques for the prediction of
solvent effects on fundamental engineering processes. In particular, the prediction of the …