Results 121 to 130 of about 17,394 (151)

Taming boroloborinines: toward photostable polycyclic antiaromatic hydrocarbons. [PDF]

Chem Sci
Mehboob MY, Sheeja M, Sasar M, Foroutan-Nejad C.   +3 more
europepmc   +1 more source

High-Resolution Tuning of Iridium(III) 4'-Aryl-terpy Chromophores: A Hammett Parameter-Guided General Methodology for Systematic Property Control through Orbital Decoupling. [PDF]

Inorg Chem
Knorr ES, Kelly JC, Gaynor RB, Rohrabaugh TN, Brown CA, Harrison DP.   +5 more
europepmc   +1 more source

Paraben adsorption on carbon-based 2D nanomaterials: molecular mechanisms and implications for environmental pollutant detection. [PDF]

RSC Adv
Umadevi D.
europepmc   +1 more source

DFT study of benzothiadiazole based small molecules for high efficiency organic photovoltaics. [PDF]

Sci Rep
Ghaffar A, Yousuf A, Qureshi MZ, Ali MA, Arshad M.   +4 more
europepmc   +1 more source

Length-dependent quantum interference and high thermoelectric response ferrocene-modified OPE wires. [PDF]

RSC Adv
Al-Jobory AA, Nawaf S, Lambert C, Ismael A.   +3 more
europepmc   +1 more source

Substituent and Ring-Number Effects on the Kinetics of PAH + OH Reactions: A QSAR-DOE Approach with Tunneling Corrections. [PDF]

Molecules
Parzych C, Baradyn M, Ratkiewicz A.
europepmc   +1 more source

DFT supported computational insights into Withaferin A structure and its binding interaction with Hsp90. [PDF]

Sci Rep
Shoni R, Karki PR, Tripathi K.
europepmc   +1 more source

A Hybrid Dft–Machine Learning Approach for Fast Homo–Lumo Gap Prediction in Naphthalene Diimide Mof Linkers

Zied Hosni, Sofiene Achour, Bahoueddine Tangour, Ayoub Haj Saı̈d   +3 more
openalex   +1 more source

Nitrogen-doped carbon quantum dots as fluorescent sensor for doxorubicin and chlortetracycline: experimental and DFT insights. [PDF]

Nanoscale Adv
Lotfy S, Aboelnga MM, Moawed EA, Elbayoumy E.   +3 more
europepmc   +1 more source

Chalcogen substitution and ionization effects on the fluorescence behavior of 8-chalcogen-quinoline-BODIPY: a DFT and TD-DFT investigation. [PDF]

RSC Adv
Bay MV, Vo QV, Trung NQ, Nam NL, Nam PC, Thong NM.   +5 more
europepmc   +1 more source