Results 91 to 100 of about 72,690 (163)

Hourglass Nodal Ring in the Monolayer Material NaSH. [PDF]

ACS Omega
Li Y.
europepmc   +1 more source

Simulating Metal Complex Formation and Ligand Exchange: Unraveling the Interplay between Entropy, Kinetics, and Mechanisms on the Chelate Effect. [PDF]

J Chem Theory Comput
Sagresti L, Benedetti L, Merz KM, Brancato G.   +3 more
europepmc   +1 more source

Enhanced Cooperative Lithium Halide Recognition by Heteroditopic Halogen Bonding (XB) Macrocycles. [PDF]

Inorg Chem
Khianjinda T, Vigromsitdet S, Srisawat P, Sawektreeratana N, Tantirungrotechai J, Sukwattanasinitt M, Harding DJ, Beer PD, Tantirungrotechai Y, Bunchuay T.   +9 more
europepmc   +1 more source

Theoretical study on the generation of Criegee intermediates from the ozonolysis of trifluoropropene (CF₃CH[double bond, length as m-dash]CH₂). [PDF]

RSC Adv
Zhang Y, Zhao M, Yao C, Wang Z, Sun Y.
europepmc   +1 more source

Stereochemical Analysis of Natural Products: Bisindole Alkaloids of the <i>Strychnos-Strychnos</i> Type. [PDF]

Int J Mol Sci
Grigoriev DA, Semenov VA, Angenot L, Krivdin LB.   +3 more
europepmc   +1 more source

Temperature-dependent reaction rates of quinone-alkene cycloaddition reveal that only entropy determines the rate of SPOCQ reactions. [PDF]

Chem Sci
Damen JAM, Escorihuela J, Firet J, Zuilhof H, Albada B.   +4 more
europepmc   +1 more source

Photoactivation Transition State and Dynamical Response of the Orange Carotenoid Protein. [PDF]

J Phys Chem B
Rose JB, Gascón JA, Sheppard DI, Kerfeld CA, Beck WF.   +4 more
europepmc   +1 more source

Precise Semi-Experimental Equilibrium (<i>r</i>_<i>e</i>^SE) Structure of Pyridine from 32 Isotopologues: Accurate Assessment of the Effect of Nitrogen-Atom Substitution in Aromatic Rings. [PDF]

J Phys Chem A
Zdanovskaia MA, Esselman BJ, Kougias SM, Atwood MG, Jones GH, Stanton JF, Woods RC, McMahon RJ.   +7 more
europepmc   +1 more source

Comparison of the Rate Constants of ^•OH, SO₄^•-, CO₃^•-, Cl₂^•-, Cl^•, ClO^• and H^• Reactions with Organic Water Contaminants. [PDF]

Molecules
Wojnárovits L, Takács E.
europepmc   +1 more source

Substituent Effect in Histamine and Its Impact on Interactions with the G Protein-Coupled Human Receptor H₁ Modelled by Quantum-Chemical Methods. [PDF]

Molecules
Jezuita A, Makowska-Janusik M, Ejsmont K, Marczak W.   +3 more
europepmc   +1 more source