Results 111 to 120 of about 1,676,625 (151)

Comparative quantum-chemical investigation of 2-chloro-N-(4-methoxyphenyl)acetamide and 2-(4-methoxyphenylamino)-2-oxoethyl meth/acrylate: DFT, TD-DFT, and non-covalent interaction analyses. [PDF]

J Comput Aided Mol Des
Çankaya N, Kebiroğlu MH.
europepmc   +1 more source

From solutions to living systems: a colorimetric and "turn-on" chemosensor for Co²⁺ with paper-strip and bioimaging applications. [PDF]

RSC Adv
Nesaragi AR, Nagalik J, Singh TG, Bansal N, T M S, N R S, Kalagatur NK, Majumder P, Inamdar SR, Almutairi JA, Alghibiwi H.   +10 more
europepmc   +1 more source

Imaging tip-induced isomerization of naphthalene and azulene moieties.

Chem Commun (Camb)
Deyerling J, Hung TC, Rey N, Pasquier R, Gross L, Wilhelm J, Peña D, Repp J.   +7 more
europepmc   +1 more source

Multifaceted In Silico and DFT-Based Analysis of 2‑Aminosuccinic Acid on Ferroptosis-Related Targets. [PDF]

ACS Omega
Kebiroğlu MH, Yalcin Azarkan S, Çankaya N.   +2 more
europepmc   +1 more source

Coordination-Driven Pyridine Capture in a Solid-State Zn(II) Complex for Rapid and Reversible Turn-On Vapoluminescence. [PDF]

Inorg Chem
Kusumoto S, Nakahama K, Karube K, Iwai Y, Ohtani R, Kobayashi F, Ohishi K, Motohashi T, Kim Y, Koide Y.   +9 more
europepmc   +1 more source

Antiaromaticity-Driven Enhancement of Single-Molecule Electrical Conductance by s-Indacene Molecular Bridges. [PDF]

Angew Chem Int Ed Engl
Chu CP, Hanamura Y, Ohto T, Maeda S, Yamada R, Yu SL, Cheng YJ, Tada H, Tobe Y.   +8 more
europepmc   +1 more source

Electronic structure engineering of PVA/ZnO/graphene oxide nanocomposites: a DFT study toward CO₂ and humidity detection. [PDF]

Sci Rep
Ibrahim A, El Aal MA, El-Zahed H, Mabied AF.   +3 more
europepmc   +1 more source

Tuning Spectral Properties of Anthracenes through Substitution. [PDF]

ACS Phys Chem Au
Ratheesh V, Weidlich AM, Dreuw A.
europepmc   +1 more source

Improving Long-Range Intramolecular Proton Transfer-Further Molecular Design Using the Successful Molecular Switch 8-(Benzo[d]thiazol-2-yl)quinolin-7-ol (HQBT) as a Structural Model. [PDF]

Micromachines (Basel)
Nedeltcheva-Antonova D, Kircheva N, Angelova S, Antonov L.   +3 more
europepmc   +1 more source

Quantum Chemical Tailoring of Donor-Acceptor Organic Nanomedicines for Nonlinear Optical Performance and Theragnostic Applications: Molecular Descriptors, In Silico, and Ab Initio Investigations. [PDF]

Int J Mol Sci
Nadeem S, Khan MU, Szeleszczuk Ł, Pisklak DM, Gackowski M, Knani S, Ayari N.   +6 more
europepmc   +1 more source