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 2005-2016 of 9,538

Mechanically Interlocked Double-Walled Covalent Organic Framework with Cucurbit[8]Uril-Stabilized Viologen Radical Dimers.

Abubakar S, Garai B, Alkhatib N, G AbdulHalim R, Prakasam T, Sharma S, Gkoura L, Jabbour R, Equbal A, Gándara F, Dhainy J, Thrush D, Avalos CE, Das G, Kandambeth S, Saleh N, Jagannathan R, Olson MA, El-Roz M, Kirmizialtin S, Eddaoudi M, Trabolsi A

2026 PubMed Journal of the American Chemical Society

Mechanism of Color Purity Regulation in Multiresonance Thermally Activated Delayed Fluorescence Emitters: Vibronic Coupling and Nonadiabatic Dynamics Analysis.

Tang B, Liu X, Meng Y, Cui L, Ning Z, Zhang Y, Lv L

2026 PubMed The journal of physical chemistry. A

Mechanism of molecular conductance enhanced via the D-A effect.

Feng W, Hou T, Li X, Du W, Li Y, Wang Z

2026 PubMed Physical chemistry chemical physics : PCCP

Mechanism of Polyester Hydrolysis by Marine Bacterium PE-H Enzyme: an Atomistic and Thermodynamic Characterization.

Nassir S, Paiva P, Neves RPP, Fernandes PA, El Allali A, Ramos MJ

2026 PubMed Journal of chemical information and modeling

Mechanism of the Photodecomposition of Stable Triarylmethyl Radicals.

Hackney HE, Legault CY, Titi HM, Perepichka DF

2026 PubMed Angewandte Chemie (International ed. in English)

Mechanism of Tyrosine-Driven Deprotonation in Photosystem II Revealed by Multiscale Simulations.

Liu J, Yang KR, Lampert JS, Armstrong WH, Brudvig GW, Batista VS

2026 PubMed Journal of the American Chemical Society

Mechanism research and process design for the separation of dimethyl carbonate and n-propanol by extractive distillation using ionic liquid.

Sun C, Peng B, Xue F, Cui P, Li G, Wang Y

2026 PubMed Journal of environmental management

Mechanism, Thermochemistry, and Kinetics for the CH + N(2) Reaction Leading to Prompt NO Formation in Combustion.

Nguyen TL, Thorpe JH, Franke PR, Jones GH, Peeters J, Bross DH, Ruscic B, Ellison GB, Stanton JF

2026 PubMed The journal of physical chemistry. A

Mechanisms for light emission enhancement from low lying doublet states in copper porphyrin H-aggregates.

Medagedara H, Rury AS

2026 PubMed The Journal of chemical physics

Mechanisms of porphyrin-mediated photohemolysis of erythrocytes.

Alonso L, Borissevitch IE, Bezerra FC, Alonso A, Gonçalves PJ

2026 PubMed Journal of photochemistry and photobiology. B, Biology

Mechanisms of Red-Shifted Absorption in Biliverdin-Binding Proteins.

Noji T, Saito K, Ishikita H

2026 PubMed Biochemistry

Mechanistic Analysis of Large Atomic Models of Molten Salt.

Guo Y, Sun X, Xi X, Nie Z

2026 PubMed Advanced science (Weinheim, Baden-Wurttemberg, Germany)