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 1837-1848 of 9,538

Iodine-doped carbon quantum dots modified Bi2MoO6 for enhanced photocatalytic nitrogen fixation

Jiawang Liu, Hongfan Zhai, Yi Su, Fengli Yang

2026 Crossref Materials Chemistry and Physics

Iodine-Hoechst Enhances X-ray Sensitivity of Cancer Cells Under Normal and Low Oxygen Conditions.

Higashi Y, Goda M, Kobayashi S, Shinohara Y, Komatsu A, Tominaga M, Harada H, Tamanoi F, Uto Y, Matsumoto K

2026 PubMed Anticancer research

Ion-Lock Storage With Multi-Logic Circuitry Gated by Polar-Dipolar Interactions in Poly(Ionic Liquids).

Biswas S, Liu J, Austin J, Urban MW

2026 PubMed Angewandte Chemie (International ed. in English)

Ionization cross sections for collisions between fully stripped ions and ground state hydrogen atoms using the quasi-classical trajectory Monte Carlo method.

Ziaeian I, Tőkési K

2026 PubMed Scientific reports

IR Spectral density of υ(S)(N-H⃗) band of 3-phenylpyrazole polymorphs: Elucidation of the synergistic influences of vibrational mode dynamics, anharmonic coupling, and direct relaxation within the framework of linear response theory.

Alothoum MAS, Alshehab A, Alsaif NAM, Hachuła B, Rekik N

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

Iron-doped carbon dot nanozymes with fluorescence and enzyme-like activity as dual-mode sensor for the detection of tetracycline.

Li Z, Liu X, Zhang Y, Tong X, Liu J, Lei Y, Guo P, Liang W, Zhou M, Yang S

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

Iron-induced phase engineering for high color-purity blue LEDs in perovskites.

Cho Y, Park SW, Baek S, Yun D, Shin GY, Son H, Song S, Cho HW, Shin H, Lee TK, Kim GH

2026 PubMed Nanoscale

Irradiation of condensed CO reveals a new pathway for the formation of aromatic molecules in astrochemical ices.

Khan W, Ramachandran R, Gupta S, Meka JK, Venkataraman V, Rajasekhar BN, Janardhan P, Bhardwaj A, Mason NJ, Sivaraman B

2026 PubMed Life sciences in space research

Irrelevant Role of Level-Electrode Coupling Asymmetry in Driving Rectification in Molecular Tunnel Junctions: Decisive Experimental Evidence from Junctions with Dissimilar Electrodes.

Feng Y, Yang R, Bâldea I, Xie Z

2026 PubMed Small (Weinheim an der Bergstrasse, Germany)

Is it Possible to Reconcile the Amount of Charge Transfer Defined in Real Space by the Charge Displacement Function and in Hilbert Space by Absolutely Localized Molecular Orbitals?

Shen H, Head-Gordon M

2026 PubMed Journal of chemical theory and computation

Is the Matrix Completion of Reduced Density Matrices Unique?

Massaccesi GE, Oña OB, Lain L, Torre A, Peralta JE, Alcoba DR, Scuseria GE

2026 PubMed The journal of physical chemistry letters

Is the matrix completion of reduced density matrices unique?

Gustavo E. Massaccesi, Ofelia B. Oña, Luis Lain, Alicia Torre, Juan E. Peralta, Diego R. Alcoba, Gustavo E. Scuseria

2026 arXiv arXiv preprint