Results 131 to 140 of about 13,197 (257)

DMRG/FQ: A Polarizable Embedding Approach Combining Density Matrix Renormalization Group and Fluctuating Charges. [PDF]

J Chem Theory Comput
Rinaldi M, Sepali C, Kirk AM, Amovilli C, Cappelli C.   +4 more
europepmc   +1 more source

Stabilizing Pd Catalysts for Liquid-Phase Hydrogenation of N‑Heterocyclic Hydrogen Carriers through Zeolite Encapsulation. [PDF]

ACS Catal
Ahsan S, Chanthachaiwat S, Kvit A, Krishna SH.   +3 more
europepmc   +1 more source

On the Preparation and Properties of Some 1,1-dipheneyl-syn,trans-truxane Derivatives [PDF]

, 1969
Setliff, Frank L.
core   +2 more sources

Bayesian Optimization for Multicomponent Supramolecular Systems. [PDF]

J Am Chem Soc
Jansen SAH, Markvoort AJ, Graaf FV, Rutten MGTA, Dankers PYW, Vantomme G, de Greef TFA, Meijer EW.   +7 more
europepmc   +1 more source

Investigating N₂ Fixation Using a Bulky Fe(bisphosphine)₂ Framework. [PDF]

Chemistry
Crawford AD, Doyle LR, Horsewill SJ, Myers WK, Scott DJ, Ashley AE.   +5 more
europepmc   +1 more source

Terminal Selective Arylation of Inert Alkanes via Radical-Organometallic Crossover. [PDF]

Chemistry
Yu S, Hood DM, Pauze MP, West JG.
europepmc   +1 more source

Catalytic Synergy: Mesoporous Silica and Ruthenium-Structure-Activity Relationships in CO₂ Methanation and Toluene Hydrogenation. [PDF]

Molecules
Janiszewska E, Pietrowski M, Zieliński M.   +2 more
europepmc   +1 more source

Distorted Surface Ensembles in Platinum-Antimony for the Durable Catalytic Dehydrogenation of Methylcyclohexane. [PDF]

JACS Au
Nakaya Y, Okada A, Furukawa S.
europepmc   +1 more source

Photophysical and Photochemical Properties of a Curcumins Family: A Combined Computational and Experimental Investigation. [PDF]

ACS Omega
Ghiami-Shomami A, Ruggieri S, Mizzoni S, Piccinelli F, Terenziani F, Pettinari R, Pagliaricci N, Pagliaricci S, Melchior A.   +8 more
europepmc   +1 more source

Electronic and Magnetic Properties of Ferrous Iron in a True Square-Planar Molecular Environment. [PDF]

Chemistry
Diederich TM, Wehland T, Schrodt M, Kochetov N, Schnegg A, Jimenez-Muñoz CM, Krewald V, Ni L, Salas NS, Kramm UI, Ballmann J, Enders M.   +11 more
europepmc   +1 more source