Results 251 to 260 of about 49,207 (274)

Investigating the Therapeutic Activity of C₄N as a Targeted Drug Delivery System for Acetaminophen and Thioguanine through DFT Simulations. [PDF]

ACS Omega
Nazeer M, Yar M, Ayub K, Bayach I, Almutlaq N, Al Amer K.   +5 more
europepmc   +1 more source

Spin Coupling in Symmetric and Asymmetric Allyl and Phenalenyl Diradicals Bridged by an Inverted Singlet-Triplet System. [PDF]

J Phys Chem A
Barreca MT, Di Maiolo F.
europepmc   +1 more source

Effects of Substituents on 9‑Fluorenone: Spectroscopic, Hirshfeld, Optical, NLO, IFCT, and CTM Properties. [PDF]

ACS Omega
Akman F.
europepmc   +1 more source

What a Difference a Water Molecule Makes-A Combined Experimental/Theoretical Study on 2,3,5-triphenyl-2<i>H</i>-tetrazol-3-ium Chloride Hydrate in Solution and the Solid-State. [PDF]

Molecules
Bechaieb R, El-Tohamy MF, AlRabiah H, Mostafa GAE, E Silva BP, Niazi M, Klein A.   +6 more
europepmc   +1 more source

In search of novel PD1 inhibitor from natural products by high-throughput virtual screening and molecular dynamics simulation. [PDF]

PLoS One
Sharma N, Debnath A, Mazumder R, Rai P, Singh RK.   +4 more
europepmc   +1 more source

Real-Space Constrained Density Functional Theory Investigation of Site-Specific, Interfacial Charge Recombination Dynamics Across the Au Nanoparticle/TiO₂ Heterojunction. [PDF]

J Phys Chem Lett
Glenna DM, Mora Perez C, Hermosillo E, Zhao H, Qian J.   +4 more
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

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Wide Band Gap Chalcogenide Semiconductors

Chemical Reviews, 2020
Imran S Khan, Yanbing Han, Hanyu Zhang
exaly  

Bridging the efficacy–effectiveness gap: a regulator's perspective on addressing variability of drug response

Nature Reviews Drug Discovery, 2011
Hans-Georg Eichler
exaly  

Beyond the gap: functions of unpaired connexon channels

Nature Reviews Molecular Cell Biology, 2003
David L Paul
exaly