Results 101 to 110 of about 9,318 (208)

Atomic Charges from Machine-Learned Charge Densities: Consistency and Substituent Effects

open access: yesChemistry
Atomic charges are widely used to analyze molecular electronic structure and substituent effects, yet their numerical values and interpretations are inherently dependent on the adopted density partitioning scheme.
Xuejian Qin, Taoyuze Lv
doaj   +1 more source

Eco-friendly Synthesis, Spectral Correlation Analysis, and Antimicrobial Activities of Substituted (E)-1-benzylidene-2-(3-nitrophenyl)hydrazines

open access: yesOrbital: The Electronic Journal of Chemistry, 2016
In the present study, a series of ten substituted (E)-1-benzylidene-2-(3-nitrophenyl)hydrazine compounds have been synthesized by condensation of  3-nitrophenylhydrazine with various substituted benzaldehydes using SiO2-H3PO4 catalyst under solvent free
Murugan Rajarajan   +6 more
doaj  

Approaches to flame resistant polymeric materials [PDF]

open access: yes
Four research and development areas are considered for further exploration in the quest of more flame-resistant polymeric materials. It is suggested that improvements in phenolphthalein polycarbonate processability may be gained through linear free ...
Liepins, R.
core   +1 more source

6,6'-Biazulenic core as a platform for unlocking Hammett constants <i>via</i> electrochemical free-energy relationships. [PDF]

open access: yesRSC Adv
Mandigo JA   +10 more
europepmc   +1 more source

Structure-Activity Relationships for 1,3-Dipolar Cycloaddition Reactions of Criegee Intermediates with Carbonyls. [PDF]

open access: yesACS Earth Space Chem
Cornwell ZA   +4 more
europepmc   +1 more source

The Nonadiabatic Nature of the Substituent Effects in Azobenzene. [PDF]

open access: yesAngew Chem Int Ed Engl
van der Wal JJ   +4 more
europepmc   +1 more source

Differentiating urethane and urea bond activation in polyurethane foam acidolysis. [PDF]

open access: yesChem Sci
Davis M   +8 more
europepmc   +1 more source

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