Quantum Chemistry
9,662 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 3193-3204 of 9,662
SpecML: web tool for predicting the spectral properties of BODIPYs.
Ksenofontov AA, Eremeeva YV, Bocharov PS, Makarov DM
Spectral amplification for ground-state energy estimation of electronic structure in first quantization
Alicja Dutkiewicz, Alec F. White, Guang Hao Low, A. Eugene DePrince, Matthew P. Harrigan, Marika Kieferova, Ryan Babbush, Dominic W. Berry, Nicholas C. Rubin
Spectral analysis on the carrier dynamics for efficient photon upconversion via molecules sensitized by ZnSe quantum dots.
Wang L, Chen F, Zhang X, Zhang R, Zhou Z, Yin Z, Yu G, Chen R, Liang Y, Zhao Y, Liang G
Spectral Bath Engineering for Quantum-Enhanced Agrivoltaics: Advancing Efficiency and Environmental Sustainability via Non-Markovian Dynamics
Steve Cabrel Teguia Kouam, Theodore Goumai Vedekoi, Jean-Pierre Tchapet Njafa, Jean-Pierre Nguenang, Serge Guy Nana Engo
Spectral fingerprints of picarbutrazox and its major hydrolysis products: A combined UV-vis, FTIR, Raman and DFT study.
Deng X, Sun Z, Chen J, Lang J, Zhou W
Spectral properties of thymine and its interaction with tryptophan and bioinspired membranes.
Garcia AAM, Okayama NSM, de Souza ES, Marquezin CA
Spectral Quantum Chemistry and Infrared Resonance Library for Data-Driven Molecular Spectroscopy.
Krishnadas A, Kansal J, Charron NE, Ragyanszki A
Spectro-kinetic modelling of photocatalytic oxidation of heterocyclic compounds in a continuous-flow packed bed reactor.
Pal R, Farnood R
Spectroscopic analysis, quantum chemical calculations and molecular docking studies of the new tridentate Schiff base copper complex functionalized with imidazole
Sümeyye Kırkıncı Yılmaz, Enis Güzel, Ayşen Alaman Ağar, Metin Yavuz
Spectroscopic and lifetime measurements of C2 in the 33Πg and 43Πg states.
Li D, Wang Z, Ma L, Cheng M, Gao H
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
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