Results 161 to 170 of about 12,878 (240)

Analyzing the Solvent Effects in Palladium/<i>N</i>-Heterocyclic Carbene (Pd/NHC)-Catalyzed Suzuki-Miyaura Coupling of Aryl Chlorides: A Computational Study of the Oxidative Addition Step with Experimental Validation. [PDF]

J Phys Chem B
Collier M, Rodriguez B, Lasiter S, Olmsted AD, Simmons EK, Boyce GR, Lambrecht DS.   +6 more
europepmc   +1 more source

Effect of Water on Local Structure and Dynamics in a Protic Ionic Liquid-Based Electrolyte. [PDF]

ChemSusChem
Lundin F, Stettner T, Falus P, Balducci A, Matic A.   +4 more
europepmc   +1 more source

Batch Synthesis of Primaquine Diphosphate Anti-Malarial Drug. [PDF]

Chemistry
Akwi FM, Swartbooi S, Watts P.
europepmc   +1 more source

Lewis Acid-Catalyzed Divergent (4+3)/(4+2) Annulations of <i>o</i>-Quinone Methides with Bicyclo[1.1.0]butanes Lead to sp³-Rich Oxabicyclic Frameworks. [PDF]

Org Lett
Mondal S, Patel M, Hazra S, Hajra S, Saha J.   +4 more
europepmc   +1 more source

Direct Evidence of Bimolecular Proton-Coupled Energy Transfer at Room Temperature. [PDF]

J Am Chem Soc
Rosichini A, Scattolini G, Hammarström L.   +2 more
europepmc   +1 more source

Computational-Assisted Development of Molecularly Imprinted Polymers for Synthetic Cannabinoid Recognition. [PDF]

ACS Omega
Carneiro LM, Gonçalves Araújo KR, Melo DU, Bartoloni FH, Soares AL, Yonamine M, Homem-de-Mello P.   +6 more
europepmc   +1 more source

Tuning CO₂ Absorption in Hydrophobic Protic Ionic Liquids via Temperature and Structure. [PDF]

Molecules
Mazlan NAM, Teoh MWQ, Rahim AHA, Purwiandono G, Yunus NM.   +4 more
europepmc   +1 more source

Proton solvation in protic and aprotic solvents

Journal of Computational Chemistry, 2016
Protonation pattern strongly affects the properties of molecular systems. To determine protonation equilibria, proton solvation free energy, which is a central quantity in solution chemistry, needs to be known. In this study, proton affinities (PAs), electrostatic energies of solvation, and pKA values were computed in protic and aprotic solvents.
Emanuele, Rossini, Ernst-Walter, Knapp
openaire   +3 more sources