Results 71 to 80 of about 2,032 (118)

A barium complex of a phenoxazinone sulfonate dye. [PDF]

Acta Crystallogr E Crystallogr Commun
Doney JT, Squattrito PJ, Gianopoulos CG.
europepmc   +1 more source

Cut-SOAP: A Machine Learning Descriptor for Rapid Screening of Molecular Adsorption Energetics. [PDF]

ACS Omega
Calderan FV, Andriani KF, Felício-Sousa P, Pinheiro GA, Da Silva JLF, Quiles MG.   +5 more
europepmc   +1 more source

Comprehensive Computational Study of a Novel Chromene-Trione Derivative Bioagent: Integrated Molecular Docking, Dynamics, Topology, and Quantum Chemical Analysis. [PDF]

Int J Mol Sci
Sivaprakash P, Viji A, Krishnaveni S, Kavya KM, Lee D, Kim I.   +5 more
europepmc   +1 more source

Syntheses and Characterization of Main Group, Transition Metal, Lanthanide, and Actinide Complexes of Bidentate Acylpyrazolone Ligands. [PDF]

Inorg Chem, 2023
Mies T, White AJP, Rzepa HS, Barluzzi L, Devgan M, Layfield RA, Barrett AGM.   +6 more
europepmc   +1 more source

Elongation Factor Tu Acts as a Chaperone to Activate an Antibacterial RNase Toxin. [PDF]

Mol Microbiol
Nhan DQ, Michalska K, Garza-Sánchez F, Bartelli NL, Willett JLE, Stols L, Eschenfeldt WH, Goulding CW, Joachimiak A, Hayes CS.   +9 more
europepmc   +1 more source

Chemical tailoring of heteroatom (P, S, Si) doping of COF-PEDOT for adsorption of paracetamol: perspective from DFT studies. [PDF]

RSC Adv
Emeng IE, Luke U, Gber NI, Ugochukwu OV, Sundaravadivelu A, Sampathkumar G, Runde M.   +6 more
europepmc   +1 more source

Computational investigation of anticorrosion properties in Ethyl 4-[(E)-(2-Hydroxy-4-Methoxyphenyl)Methyleneamino]Benzoate and its pyrrole substituted variant on mild steel. [PDF]

Sci Rep
Kiven DE, Nkungli NK, Tasheh SN, Bine FK, Ghogomu JN.   +4 more
europepmc   +1 more source

Computable properties of selected monomeric acylphloroglucinols with anticancer and/or antimalarial activities and first-approximation docking study. [PDF]

J Mol Model
Tshilande N, Mammino L.
europepmc   +1 more source

2-[3-(1H-Benzimidazol-2-yl)prop-yl]-1H-benzimidazol-3-ium 3,4,5-tri-hydroxy-benzoate-1,3-bis-(1H-benzimidazol-2-yl)propane-ethyl acetate (2/1/2.94): co-crystallization between a salt, a neutral mol-ecule and a solvent. [PDF]

Acta Crystallogr E Crystallogr Commun, 2023
Palacios Rodríguez JC, Mendoza A, Sosa Rivadeneyra M, Bernès S.   +3 more
europepmc   +1 more source

Local electronic regulation of Na₅V₁₂O₃₂ cathode suppressing structural distortion toward enhanced sodium storage. [PDF]

Nat Commun
Song X, Wang J, Li W, Xiao W, Zhang G, Liu S, Xu Y, Lu J, Li X.   +8 more
europepmc   +1 more source