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 649-660 of 9,538
Comparison of the Structure of Advanced Organic Electrode Materials, TAPT and "TAQ", by Multinuclear NMR and Stability Analysis.
Litterio JM, Finkelstein SH, Sun Z, Cerri KM, Schmidt-Rohr K
Comparison of three plasma p-tau217 assays to detect PET-confirmed Alzheimer's pathologies.
Matsuura S, Tagai K, Tatebe H, Goto R, Matsumoto H, Oyama A, Momota Y, Ichihashi M, Kataoka Y, Matsuoka K, Kokubo N, Kamada T, Osawa K, Chishiki Y, Moriguchi S, Komatsu Y, Seki C, Takahata K, Endo H, Kudo T, Higuchi M, Tokuda T
Competition between predissociation and autoionization in molecular hydrogen above the ionization threshold: A high-resolution spectroscopy and velocity map imaging study.
Wang J, Han X, Cui X, Xu F
Competitive cell transplantation in rat mammary tissue and its use for radiation-induced cell competition and tumor clonality assays.
Nagata K, Nishimura-Yano Y, Hosoki A, Kudo KI, Daino K, Nishimura M, Imaoka T
Complete set of isodesmic reactions for the accurate thermochemistry of three- and four-atom CNO-compounds.
Khursan SL, Akhmetshina ES
Compounds With Allene Moiety as a Component in the [3+2] Cycloaddition Reactions: A Molecular Electron Density Theory Study
Nikola Samborek, Olaf Kukulski, Agnieszka Kącka‐Zych
Comprehensive Comparison of Molecular Fragmentation Schemes for Proteins.
Rüther K, Bunge K, Hilmer LM, Hellmers J, König C
Comprehensive pKa Data Augmentation from Limited Real Data through an Engineered Models-Quantum Framework
Wang Rui, Liu Dinghao
Computable measures of fermionic non-Gaussianity from the covariance matrix
Poetri Sonya Tarabunga, Bernhard Jobst, Raúl Morral-Yepes, Marc Langer, Barbara Kraus, Frank Pollmann, Sheng-Hsuan Lin
Computation of Partial Auger Decay Widths from Complex-Valued Equation-of-Motion Coupled-Cluster Energies.
Matz F, Gkogkos A, Jagau TC
Computational and Spectroscopic Insights Into the Rice Bran Derived Glu‐Gln‐Arg‐Pro‐Arg Pentapeptide as an Anticancer Agent: A <scp>DFT</scp> , Molecular Docking, and Molecular Dynamics Study
Gozde Yilmaz, Sefa Celik, Aysen E. Ozel, Sevim Akyuz
Computational assessment of the antioxidant activity of maculosin: a theoretical approach.
Trang HTT, Thuy PT, Ha NX