Mannich reaction with organozinc reagents in continuous flow: experimental and computational studies. [PDF]
RSC AdvFraile-González L +3 more
europepmc +1 more source
CO<sub>2</sub> capture by fluorinated-imidazolium based ionic liquids: a multiple minima hypersurfaces analysis. [PDF]
Front ChemCuellar J, Yáñez O, Mejía SM.
europepmc +1 more source
A density functional theory study of cyclophosphamide and purinethol adsorption on a covalent triazine framework (CTF-2) for drug delivery applications. [PDF]
Sci RepTariq T, Yar M, Bayach I, Alsadun N.
europepmc +1 more source
Prediction of strong Cu(I)-He interaction at open metal sites enables isotope-selective helium adsorption. [PDF]
Nat CommunDongmo EG +4 more
europepmc +1 more source
Polarizabilities of Atoms in Molecules: Choice of the Partitioning Scheme and Applications for Secondary Interactions. [PDF]
MoleculesMacchi P.
europepmc +1 more source
Investigating the Therapeutic Activity of C<sub>4</sub>N as a Targeted Drug Delivery System for Acetaminophen and Thioguanine through DFT Simulations. [PDF]
ACS OmegaNazeer M +5 more
europepmc +1 more source
Insights Into Bifenthrin Stereoisomers and Their Regulatory Implications. [PDF]
ChemistryOpenSantos NCM +7 more
europepmc +1 more source
DFT and Mass Spectrometry Study of (-)ESI-Induced Fragmentation of the Highly Toxic Rodenticide Tetramethylenedisulfotetramine. [PDF]
ACS OmegaGertner JL +4 more
europepmc +1 more source
Interactions of imidazole with water molecules. [PDF]
J Mol ModelMalloum A, Conradie J.
europepmc +1 more source
Inhibition Mechanism and Target Reassessment of Potent Piperaquine Analogs: Evidence for <i>Pf</i>LDH over <i>Pf</i>DHODH. [PDF]
ACS OmegaThomas TV +3 more
europepmc +1 more source