Results 171 to 180 of about 993,710 (249)

Complex Roles of Solution Chemistry on Graphene Oxide Coagulation onto Titanium Dioxide: Batch Experiments, Spectroscopy Analysis and Theoretical Calculation

, 2017
Shujun Yu, Xiangxue Wang, Rui Zhang, Tongtong Yang, Yuejie Ai, Tao Wen, Wei Huang, Tasawar Hayat, Ahmed Alsaedi, Xiangke Wang   +9 more
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Enhancing photoredox catalysis by suppressing back electron transfer with the aid of a spin catalyst. [PDF]

Chem Sci
Dong Z, Chen C, Chen L, Sun M, Zhan J, Zhou S, Cao L, Liu J, Bai S, Jie J, Su H, Gao S, Zhou L.   +12 more
europepmc   +1 more source

Brief history of computational chemistry: Three distinct eras and the relative importance of theoretical insights and computing power in advancing the field

, 2017
Wenfa Ng
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Correction: Exciton dynamics from the mapping approach to surface hopping: comparison with Förster and Redfield theories.

Phys Chem Chem Phys
Runeson JE, Fay TP, Manolopoulos DE.
europepmc   +1 more source

Correction to "Developing Red and Near-Infrared Delayed Fluorescence Emission in Nitrogen-Substituted Donor-Acceptor Polycyclic Hydrocarbon OLED Emitters: A Theoretical Study". [PDF]

J Phys Chem A
Sahoo SR, Baryshnikov GV, Ågren H.
europepmc   +1 more source

Fe 3d Orbital Evolution in Ferrocene Ionization: Insights from ΔSCF, EOES, and Orbital Momentum Distribution. [PDF]

Molecules
Wang F, Vasilyev V.
europepmc   +1 more source

Protecting the Ketone: Preparation of Ethyl Acetoacetate Ethylene Ketal and Its Relevance to Medicinal Chemistry. [PDF]

Cureus
Avakian A.
europepmc   +1 more source

When theory came first: a review of theoretical chemical predictions ahead of experiments. [PDF]

Pure Appl Chem
Barbatti M.
europepmc   +1 more source

Erratum to “Theoretical Study of the Reaction of (2, 2)-Dichloro (Ethyl) Arylphosphine with Bis (2, 2)-Dichloro (Ethyl) Arylphosphine by Hydrophosphination Regioselective by the DFT Method” [Computational Chemistry 5 (2017) 113-128]

, 2019
Kouadio Valery Bohoussou, Anoubilé Benié, Mamadou Guy-Richard Koné, Affi Baudelaire Kakou, Kafoumba Bamba, Nahossé Ziao   +5 more
openalex   +2 more sources