Results 171 to 180 of about 36,268 (249)

Computational Study of [Al, N, C, S] Isomers: Electronic Structure and Bonding Analysis. [PDF]

ACS Omega
Erdman AC, Russ BT, Sheridan PM.
europepmc   +1 more source

Effect of Bi³⁺ on the physical, mechanical, and dielectric properties of cadmium silicate glasses for energy storage devices. [PDF]

RSC Adv
Darwish AG, Farouk MI, Abdelglil MI, Abo-Mosallam HA.   +3 more
europepmc   +1 more source

DFT and QTAIM insights into C₂₀ fullerene derivatives as advanced sensors for phencyclidine drug detection in clinical settings. [PDF]

Sci Rep
Alamri A, Alafnan A.
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Microhydration Effects on Hemibonds in [H₂O-X]⁺-(H₂O)_<i>n</i> (X = O₂ and CS₂; <i>n</i> = 0-2): Infrared Spectroscopic Characterization toward Understanding Charge-Resonance Interactions in Aqueous Environments. [PDF]

J Phys Chem Lett
Hosoda T, Fujii A.
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Experimental and computational insights into the CuFeMoO₄ modified CMC microbeads for effective removal of methylene blue from aqueous media. [PDF]

Sci Rep
Salem MA, Awad MK, Sleet RK, El-Ghobashy MA.   +3 more
europepmc   +1 more source

Alkali metal-induced modifications in the electronic and NLO properties of triselenasumanene complexes through DFT study. [PDF]

Sci Rep
Rafee V, Kamalinahad S.
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Extrinsic gating of the rotary direction of a light-driven molecular motor by dynamic boronic acid-diol complexation. [PDF]

Chem Sci
Chen ZJ, Lu HF, Chiu CW, Liu YH, Hsu CP, Yang JS.   +5 more
europepmc   +1 more source

Computational Workflow to Unravel the Structural Dynamics of Supramolecular Metallacages in Solution. [PDF]

J Chem Theory Comput
Stebani JA, Iribarren Aguirre I, Siddiqui GA, Wragg D, Gagliardi A, Casini A.   +5 more
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The Potential of Normobaric Oxygen Therapy to Enhance Erythropoiesis, Reduce Oxidative Stress, and Modulate Immune Function in Colorectal Cancer Patients Undergoing Chemotherapy: Study Protocol for a Prospective, Randomized, Double-Blind, Placebo-Controlled Trial (NBO-ONCO). [PDF]

J Clin Med
Polański J, Jankowska-Polańska B, Dymarek R, Zajączkowska O, Makuch S, Freier B, Kamińska D, Pawlak E, Busławski A, Zwoździak J.   +9 more
europepmc   +1 more source

Molecular Structure, Theoretical NBO Analysis, Vibrational Spectrum of CO₂-Responsive Hydroxyamidine-Based Ionic Liquid: A Combined Computational and Experimental Approach. [PDF]

Molecules
Abulyaissova L, Barashkov N, Irgibaeva I, Tashenov Y.   +3 more
europepmc   +1 more source