Results 51 to 60 of about 57,191 (159)

Comparison of Various Theoretical Measures of Aromaticity within Monosubstituted Benzene

Molecules
The effects of monosubstitution on the aromaticity of benzene are assessed using a number of different quantitative schemes. The ability of the mobile π-electrons to respond to an external magnetic field is evaluated using several variants of the NICS ...
Caleb K. Swain, Steve Scheiner
doaj   +1 more source

Ionic Dioxidovanadium(V) Complexes with Schiff-Base Ligands as Potential Insulin-Mimetic Agents-Substituent Effect on Structure and Stability. [PDF]

Molecules, 2022
Jurowska A, Szklarzewicz J, Hodorowicz M, Serafin W, Zangrando E, Mahmoudi G.   +5 more
europepmc   +1 more source

Homogenous catalysis of peroxynitrite conversion to nitrate by diaryl selenide: a theoretical investigation of the reaction mechanism

Frontiers in Chemistry
Quenching peroxynitrite (a reactive oxidant species) is a vital process in biological systems and environmental chemistry as it maintains redox balance and mitigates damaging effects in living cells and the environment.
Yuan Xue, Yuan Xue, Carrie Salmon, Valentin Gogonea, Valentin Gogonea, Valentin Gogonea   +5 more
doaj   +1 more source

DFT Study on the Substituent Effect of Anticancer Picoline-Diazido-Pt(IV) Compounds. [PDF]

Front Oncol, 2021
Mu M, Gao H.
europepmc   +1 more source

Arylamine Analogs of Methylene Blue: Substituent Effect on Aggregation Behavior and DNA Binding. [PDF]

Int J Mol Sci, 2021
Khadieva A, Mostovaya O, Padnya P, Kalinin V, Grishaev D, Tumakov D, Stoikov I.   +6 more
europepmc   +1 more source

Substituent effect on TADF properties of 2-modified 4,6-bis(3,6-di-tert-butyl-9-carbazolyl)-5-methylpyrimidines. [PDF]

Beilstein J Org Chem, 2022
Fiodorova I, Serevičius T, Skaisgiris R, Juršėnas S, Tumkevicius S.   +4 more
europepmc   +1 more source

Introdução à físico-química orgânica utilizando um colorímetro artesanal - uma prática interdisciplinar

Química Nova
Herein, we propose an interdisciplinary experiment for undergraduate course that involves concepts of organic and physical chemistry. Firstly, we propose the synthesis of three nitrophenyl acetates, varying the substituent position.
Valmir B. Silva, Elisa S. Orth
doaj   +1 more source

Substituent effects on imidazole derivatives

, 2010
Üç bölümden oluşan bu tez 1,3-disübstitüye imidazolyum bromürlerin (1-5) sentezi ve katalitik özellikleriyle ilgilidir. Birinci bölüm imidazollere ait temel bilgiler, önemi ve kullanımları hakkında kısa bir derlemedir. İkinci bölümde deneysel veriler ayrıntılı bir biçimde açıklanmıştır. Üçüncü bölüm 1,3-disübstitüye imidazolyum tuzlarının sentezi, yapı
openaire   +2 more sources

The Nonadiabatic Nature of the Substituent Effects in Azobenzene

Angewandte Chemie International Edition
ABSTRACT The mechanism of thermal Z → E isomerization in azobenzenes has been debated for nearly a century, with inversion, rotation, and nonadiabatic pathways proposed to account for the nonlinear substituent dependence of the ...
Jacob Jan van der Wal, Roman Yu. Peshkov, Jorn D. Steen, Nadja A. Simeth, Stefano Crespi   +4 more
openaire   +4 more sources

Terminal Trialkylsilyl Substituent Effect of Janus-type Molecular Tubes on the Inclusion of Unsaturated Fatty Acid Esters. [PDF]

ACS Omega, 2021
Kogame-Asahara C, Iguchi H, Honda K, Shigemitsu H, Kida T.   +4 more
europepmc   +1 more source