Quantum Chemistry
9,538 papers
Quantum Chemistry Research Context
This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.
Showing 2017-2028 of 9,538
Mechanistic and topological insights into the Curtius rearrangement of N,N-dimethylcarbamoyl azide: A quantum chemical study
Marzie Rastaghi, Behzad Chahkandi, Ehsan Zahedi
Mechanistic elucidation of substituted aniline adsorption and inhibition on mild steel in sulphuric acid: A quantum chemical and electrochemical convergence
Meenakshi Gupta, Mansi Y. Chaudhary, Prerna Bansal, Rajni Grover, Shramila Yadav
Mechanistic Insights from Differences in the Aggregate Morphologies of Amphotericin B and Its Less Toxic Variant Am-2-19 (Turletricin).
Ting-Williams L, Stroet M, Deplazes E
Mechanistic insights into (toxic) carbonyl compound formation during ozonation of substituted phenols.
Zhang Z, Grace DN, Vu NP, Nguyen LA, Hendrickson HP, Prasse C
Mechanistic insights into carbon dot-aceclofenac interactions: An experimental and theoretical approach.
Krishnasamy K, Subramani T
Mechanistic insights into evolution of bioluminescence from luciferyl-adenylate chemiluminescence.
Viviani VR, Niwa K, Nakajima Y, Tomazini A, Ohmiya Y, Nishihara R
Mechanistic insights into facet-dependent CO adsorption and vibrational responses on anatase TiO(2): periodic quantum-mechanical calculations.
Vacek J, Hobza P, Nachtigallová D
Mechanistic insights into marine-derived PDE6D inhibitors disrupting prenyl-binding to modulate leukemia-associated RAS trafficking.
Alam P, Akhtar A, Ahmed S, Hasan Z
Mechanistic insights into Safranin-O adsorption on mineral clay: A green valorisation approach supported by Quantum and Classical Molecular Simulation
AHNIN Chaimaa, AHROUCH Mohammadi, CHRAKA Anas, MUSA A. Said, BOUNAB Loubna, AOULAD OMAR Yassmina, DRAOUI Khalid, HADRI Mohamed
Mechanistic insights into the photodegradation of cyclotriphosphazene flame retardants from computational and experimental evidence.
Lu Y, Zeng L, Tan Z, Liao Z, Wen M, Hou Y, Wen Y, Ou H
Mechanistic Study on Catechin-Derived Carbon Quantum Dots Promoting Wound Healing via Activating the MAPK/ERK-p38 Signaling Pathway.
E K, Wang X, Liu R, Tao H, Zhang J, Han Q, Song Y, Wang G
Medicinal Plant-Derived Bioinspired Carbon Quantum Dots: From Precursor Chemistry to Precision Cancer Theranostics
Hubza Ruatt Khan, Humaira Yasmeen, Khalid Mujasam Batoo, Mostafa Kamal Masud, Noor Muhammad