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 421-432 of 3,656

Confining Metastable Wurtzite HgTe for Infrared Optoelectronics.

Sergeeva KA, Portniagin AS, Mastrippolito D, Gureghian C, Hage A, De Pesseroey D, Paye M, Bossavit E, Sergeev AA, Li Z, Colle A, Rivaux C, Ithurria S, Reiss P, Patriarche G, Zhong X, Li J, Klotz S, Baptiste B, Pierucci D, Capitani F, Delerue C, Rogach AL, Lhuillier E

2026 PubMed ACS nano

Conformation-induced Kondo switch of fluorenyl radicals on a metal surface through adsorption.

Liu J, Li Y, Huang J, Tan S, Ma C, Fan Q, Wang B

2026 PubMed Nanoscale

Conformational chirality in buckled molecular silicenes: a precursor for chiral magnets.

Muskan, Bhattacharya D, Shil S

2026 PubMed RSC advances

Conformational landscape and tunneling dynamics in 3-fluorobenzylamine: a rotational spectroscopy and computational study.

Maggio A, Liang Y, Paoloni L, Li W, Pinillos P, Coccia T, Sun F, Song W, Maris A, Evangelisti L, Melandri S

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

Conformational studies of 1,2-di-tert-butoxyethane with special attention to the gauche oxygen effect.

Furuya H, Takekiyo T, Wada R, Kasezawa K, Abe A, Kato M

2026 PubMed Physical chemistry chemical physics : PCCP

Connecting Brown Carbon Composition and Physicochemical Properties of Aqueous Urban PM(2.5) to their Photosensitized Production of Singlet Oxygen and Organic Triplet Excited States.

Lyu Y, Li Y, Ma R, Zhou T, Borduas-Dedekind N, Nah T

2026 PubMed Environmental science & technology

Connecting the mechanistic steps of cyclic dipeptide formation by a proton-transfer network: pH, temperature, pressure, and nuclear quantum effects.

Pimbaotham P, Villanueva JK, Jungsuttiwong S, Tachikawa M, Szilagyi RK

2026 PubMed Organic & biomolecular chemistry

Constructing Denser Hydrogen-Bonding Networks in Polyoxometalate-Based Coordination Polymers for Enhancing Proton Conduction.

Zheng X, Wu XS, Li HY, Han X, Tian Y, Wang X, Li Z, Su ZM

2026 PubMed Inorganic chemistry

Constructing Diabatic Potential Energy Matrices with Quantum Dynamic Accuracy: A Neural Network Based Δ-Machine Learning Approach.

Hou S, Zhang Z, Xie C

2026 PubMed Journal of chemical theory and computation

Constructing N, O-Coordinated Metal Sites on β-Ketoenamine Covalent Organic Frameworks to Promote Photosynthetic Hydrogen Peroxide Production.

Gao Y, Wu Y, Yang J, Dong H, Song X, Li Z, Zhang Y, Liu Y, Zhang Q

2026 PubMed ACS applied materials & interfaces

Construction and Emission Tuning of the One-Dimensional (MBI)CdCl(4)·H(2)O toward Anti-Counterfeiting and Information Encryption.

Yang Q, Wang Y, Sun F, Gao Z, Chen W, Yang Y, Yao X, Wang M, Xu Y, Wang L, Chen H, Jiang W

2026 PubMed Inorganic chemistry

Construction of a silver-doped carbon dots-based fluorescent probe for trace tartrazine analysis in foodstuffs.

Zhang Q, Tian X, Xie M, Luo X, Zheng B, Luo X, Wang M, Mou S, Wu Y

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