Results 211 to 220 of about 66,179 (347)

Origin of the insulating phase and metal-insulator transition in the organic molecular solid <i>κ</i>-(BEDT-TTF)₂Cu₂(CN)₃. [PDF]

NPJ Comput Mater
Shin D, Pavošević F, Tancogne-Dejean N, Buzzi M, Boström EV, Rubio A.   +5 more
europepmc   +1 more source

Transition Metal Complex Based On Phenoliccarboxylic Ligand: Spectroscopic Inspection, DFT/TDDFT Computations, Cytotoxicity and Molecular Docking Investigation. [PDF]

ACS Omega
Ahmed AH, Soliman KA, Alrashdi S, Alenezy EK, Ghalab S, Gad ES.   +5 more
europepmc   +1 more source

Model structures of compounds D_152 and OHN (upper) and their corresponding HOMOs and LUMOs (lower).

Snigdha Bhardwaj (21161977), Kandasamy Nagarajan (19274649), Halima Mustafa Elagib (17949041), Sadaf Anwar (17949038), Mohammad Zeeshan Najm (20762573), Tulika Bhardwaj (18389422), Mohd Adnan Kausar (19439118)   +6 more
openalex   +1 more source

Exploring electron affinities, LUMO energies, and band gaps with electron-pair theories [PDF]

Marta Gałyńska, Paweł Tecmer, Katharina Bogusławski   +2 more
openalex   +1 more source

Recent Advances in Laser‐Induced Graphene‐Based Gas Sensors: From Sensing Mechanisms to Biomedical Applications

Advanced Science, EarlyView.
Laser‐induced graphene (LIG) provides a scalable, laser‐direct‐written route to porous graphene architecture with tunable chemistry and defect density. Through heterojunction engineering, catalytic functionalization, and intrinsic self‐heating, LIG achieves highly sensitive and selective detection of NOX, NH3, H2, and humidity, supporting next ...
Md Abu Sayeed Biswas, Ankan Dutta, Shuvendu Das, Abu Musa Abdullah, Wanqing Zhang, Fatema Tuz Zohra, Huanyu Cheng   +6 more
wiley   +1 more source

Advanced polymer-based humidity sensor for aerospace applications implementing ZnO-G: theoretical and experimental study. [PDF]

Sci Rep
Hegazy MA, Nada N, Elhaes H, Ibrahim MA, Ezzat HA.   +4 more
europepmc   +1 more source

POLA PERTUMBUHAN DAN REPRODUKSI IKAN LUMO (Labiobarbus ocellatus) DI SUNGAI TULANG BAWANG PROVINSI LAMPUNG

, 2014
Alwan Tholifin, Berta Putri, Rara Diantari, Indra Gumay Yudha   +3 more
openalex   +1 more source

Theoretical study on the molecular structure and vibrational properties, NBO and HOMO–LUMO analysis of the POX3 (X = F, Cl, Br, I) series of molecules

, 2014
J.E. Galván, Diego M. Gil, Hernán Enrique Lanús, A. Ben Altabef   +3 more
openalex   +2 more sources

Nickel‐Catalyzed Twofold Conjunctive Coupling via Philicity‐Alternating Radical Relay

Advanced Science, EarlyView.
Herein, we disclose a nickel‐catalyzed twofold conjunctive coupling that enables a four‐component assembly involving an activated alkene, a 1,3‐enyne, and both alkyl and aryl halides. Multiple C–C bonds are selectively constructed through a philicity‐alternating radical relay and the selective radical capture by the nickel catalyst.
Ji Hwan Jeon, Da Hye Kim, Gun Ha Kim, Gyuhwan Sim, Jan‐Uwe Rohde, Byunghyuck Jung, Sangwon Seo, Sung You Hong   +7 more
wiley   +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