Quantum Chemistry

3,656 papers from PubMed

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 2161-2172 of 3,656

Thermodynamic and Kinetic Modulation of Artificial H(2)O(2) Photosynthesis via Spatial Control of Redox Catalytic Sites.

Zhang X, Zhou Q, Li C, Su H, Chen T, Cui P, Ban C, Tao Y, Wang J, Jiang Y, Liu L, Teng Z, Fan Z, Zhao Y, Zheng K, Ding J, Su C, Zhang T, Liu B

2026 PubMed Journal of the American Chemical Society

Thermodynamic Principles Behind Mechanisms and Reactivities: Hydrogen Atom Abstraction and Related Radical Reactions.

Srnec M, Bím D, Maldonado-Domínguez M, Wojdyla Z, Fučík R

2026 PubMed Accounts of chemical research

Thermophysical properties and solidification behavior of liquid Vit106a in microgravity.

Terebenec D, Mohr M, Wunderlich R, Fecht HJ, Schneider S, Dommann A, Neels A

2026 PubMed NPJ microgravity

Thiazole-linked π-conjugated frameworks synthesized via sequential Pd-catalyzed arylation: synthetic strategy and structure-property correlations.

Thakur PP, Patil M

2026 PubMed Organic & biomolecular chemistry

Thickness-confined metastable phase transitions drive large piezoelectricity in ultrathin BiFeO(3).

Chen SJ, Zhu M, Wang JH, Shi T, Liu J, Wang Y, Zhu Y, Ma XL, Chen Z, Tang Y

2026 PubMed Science advances

Thickness-Driven Modification of Interface States and Polarization Switching in MoTe(2)/BaTiO(3) Heterostructures.

Zhou Y, Hou F, Fu X, Ge C, Xu M, Wang K, Zhang S, Xing J, Sun L, Lv R, Liu Q, Wang F, Zeng K, Min T, Li T

2026 PubMed Nano letters

Thiolactone ring dynamics in dimeric lipids enable pH-switchable supramolecular tuning in surface-engineered quantum dots.

Saha P, Moitra P, Bera S, Das Adhikari S, Pradhan N, Bhattacharya S

2026 PubMed Nanoscale

Three-dimensional structure of Cypridina luciferase illuminates the mechanism of bioluminescence of imidazopyrazinone-type luciferin.

Kihira K, Yasuno R, Kanie S, Wu C, Mitani Y, Ohmiya Y

2026 PubMed International journal of biological macromolecules

Through-space charge transfer enables efficient carbonyl/amine multi-resonance emitters for organic light-emitting devices.

Li Y, Li XL, Kai CC, Zhong LT, Wang RJ, Tan JH, Huo Y, Chen WC

2026 PubMed Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Through-Space Stabilization of Carbon-Centered Aryl Dicyanomethyl Radicals.

Jayaweera AT, Zhang R, Mi J, Rossini AJ, Winter AH

2026 PubMed Journal of the American Chemical Society

Ti(3)C(2) MXene Nanosheets and K(+)/Strong Base Synergistically Regulated g-C(3)N(5) Jointly Construct a Novel Photogenerated Electron Capacitor for Efficient Photosynthesis of H(2)O(2).

Huang X, Luo Z, Yu Y, Li S, Li Y, Zhang W, Lv C, Yan H, Jiao S, Lin D, Wang B, Xu H, Li W

2026 PubMed Small (Weinheim an der Bergstrasse, Germany)

Time-Dependent Open-Quantum Approach to Two-Dimensional Electronic Spectroscopy within a GW/BSE Active Space.

Dall'Osto G, Marsili M, Corni S, Coccia E

2026 PubMed Journal of chemical theory and computation