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 1921-1932 of 3,656

Spectroscopic and quantum chemical characterization of 4-[2-(2-Amino-4,7-dihydro-4-oxo-3 H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid with molecular docking and cytotoxicity insights for targeting NSCLC.

Vijayaraghavan M, Petchimuthu R, Rajendran P, Jeganathan M, Amirtham MFB

2026 PubMed In silico pharmacology

Spectroscopic and Theoretical Analysis of N-Ethylphenothiazine Derivatives: Alkyl Chain Length Effects on Solvatochromism, Fluorescence Efficiency, and Excited-State Polarity.

Slodek A, Zych D, Zimosz S, Szafraniec-Gorol G, Kotowicz S, Kubis M, Kowalska-Szojda K, Malarz K, Musioł R

2026 PubMed The journal of physical chemistry. B

Spectroscopic and thermal behavior of ca₈ MgLa(PO₄)₇:Eu(2+),Mn(2+) phosphor powders and polymer composites.

Stefanski M, Vu THQ, Tomala R, Stefańska D

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

Spectroscopic characterization of a Be(2)-benzene complex featuring BeBe quasi-triple bond.

Wang C, Guan XL, Nie YY, Gao MX, Qiu W, Xu J, You T, Wu YB, Jian J

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

Spectroscopic characterization of NH(A(3)Π): Linewidths and energy level shifts.

da Silva RS, Alves MDS, Souza SR, Fellows CE

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

Spectroscopic Studies of 1,2-Dibromobenzene Using Synchrotron Radiation in the UV-VUV Region.

Gorai KK, Das AK, Shastri A

2026 PubMed The journal of physical chemistry. A

Spectroscopy of carotenoid oxidation and flavone derivatives in carrot raw material.

Astanov SH, Tursunov SU, Kasimova GK, Mukhamadova AB, Razzokov N, Jumabaev A

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

Spin Dynamics in Open Quantum Systems: A DLvN-TDDFT Approach.

Chavan KT, Hod O, Peralta JE

2026 PubMed Journal of chemical theory and computation

Spin effects in electrocatalysis: underlying mechanisms and reactivity regulation.

Kong W, Yang H, Mu L

2026 PubMed Chemical communications (Cambridge, England)

Spin Filtering Induced by Quantum Interference and Weak Interfacial Spin Polarization.

Ma H, Zhang HQ, Zhang XB, Zhang GP, Ren JF, Hu GC

2026 PubMed The journal of physical chemistry letters

Spin State in Au Porphyrins Modulated by Charge Transfer on Au(111).

Li D, Kumar M, Stetsovych O, Lowe B, Sengupta R, Hayashi H, Maeda H, Jelínek P, Kawai S

2026 PubMed Journal of the American Chemical Society

Spin-driven enantioselective regulation of cyclooxygenase-2 activity for rheumatoid arthritis therapy via chiral gold nanohelices.

Yan J, Liu L, Chen Z, Zhao Q, Han X, Wang Y, Mu Z, Wang X, Song P, Kang Y, Lu W, Guo AM, Sun QF, Zhang H

2026 PubMed Nature communications