Results 71 to 80 of about 963 (111)

DFT Benchmarking for [Fe^II]‑(Alkyl/Alkylidene/Acetylide) Complexes. [PDF]

ACS Omega
da Silva LS, Soares FS, de Souza AA, Sá É.   +3 more
europepmc   +1 more source

Determination of the Preferred Stereoisomer of Natural Product Bisabolol in Chloroform Solution through Quantum Chemical Calculations of ¹H NMR Chemical Shifts. [PDF]

ACS Omega
Da Silva HC, Martorano LH, Dos Santos FM, De Almeida WB.   +3 more
europepmc   +1 more source

Structure-Based Identification of Natural Inhibitors Targeting the Gc Glycoprotein of Oropouche Virus: An In Silico Approach. [PDF]

Int J Mol Sci
Vargas-Echeverría C, Saurith-Coronell O, Rodriguez-Macías J, Márquez Brazón EA, Mora JR, Fuentes-Gandara F, Paz JL, Salazar F.   +7 more
europepmc   +1 more source

Synthesis, Characterization, and Dual Functional Properties of Coumarin-Based Hybrids for Biological and Optical Applications. [PDF]

ACS Omega
Lima JGM, Dos Santos JRN, Abegão LMG, Cocca LHZ, de Almeida LR, Napolitano HB, Ribeiro L, Ramos LM.   +7 more
europepmc   +1 more source

Computational Identification of Potential Novel Allosteric IHF Inhibitors Using QSAR Modeling to Inhibit Plasmid-Mediated Antibiotic Resistance. [PDF]

Int J Mol Sci
Saurith-Coronell O, Sierra-Hernandez O, Rodríguez-Macías JD, Mora JR, Perez-Perez N, Alcázar JJ, Moura RO, Nascimento IJDS, Márquez Brazón EA, Marrero-Ponce Y.   +9 more
europepmc   +1 more source

The (Anti)aromatic Properties of Cyclo[n]Carbons: Myth or Reality? [PDF]

J Comput Chem
Stasyuk OA, George G, Curutchet C, Plasser F, Stasyuk AJ.   +4 more
europepmc   +1 more source

Rhythmic Dynamics of Stress Granules in <i>Wild-Type</i> and <i>Bmal1^-/-</i> Fibroblasts Lacking a Functional Canonical Circadian Clock. [PDF]

Int J Mol Sci
Malcolm M, Pusterla JM, Penazzi LG, Trenchi A, Acosta-Rodríguez VA, Ríos MN, Villarreal M, Guido ME, Garbarino-Pico E.   +8 more
europepmc   +1 more source

Removal of Methylparaben from an Aqueous Medium Using Biochars Derived from Fique Bagasse. Experimental and Theoretical Approach. [PDF]

ACS Omega
Correa-Navarro YM, Rivera-Giraldo JD, Rodas-Rodríguez JM, Murcia-Garcia JD, Galviz-Quintero RA.   +4 more
europepmc   +1 more source

5- and 6-Membered Rings: A Natural Orbital Functional Study. [PDF]

J Chem Theory Comput
Mitxelena I, Lew-Yee JFH, Piris M.
europepmc   +1 more source

CO Adsorption on Pd Nanoparticles: Assignment of Experimental C-O Vibrational Frequencies by DFT Calculations. [PDF]

J Phys Chem C Nanomater Interfaces
Yudanov IV, Laletina SS, Neyman KM.
europepmc   +1 more source