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electron density相关文献:
New venues in electron density analysis.
Landeros-Rivera B, Gallegos M, Munárriz J, Laplaza R, Contreras-García J.
Phys Chem Chem Phys. 2022 Sep 21;24(36):21538-21548. doi: 10.1039/d2cp01517j.
PMID:36069366
Electron Beam-Induced Transformation in High-Density Amorphous Ices.
Xu H, Ångström J, Eklund T, Amann-Winkel K.
J Phys Chem B. 2020 Oct 15;124(41):9283-9288. doi: 10.1021/acs.jpcb.0c08232. Epub 2020 Sep 30.
PMID:32997503
Electron-density descriptors as predictors in quantitative structure--activity/property relationships and drug design.
Matta CF, Arabi AA.
Future Med Chem. 2011 Jun;3(8):969-94. doi: 10.4155/fmc.11.65.
PMID:21707400
Charge Density Waves in Electron-Doped Molybdenum Disulfide.
Bin Subhan MK, Suleman A, Moore G, Phu P, Hoesch M, Kurebayashi H, Howard CA, Schofield SR.
Nano Lett. 2021 Jul 14;21(13):5516-5521. doi: 10.1021/acs.nanolett.1c00677. Epub 2021 Jul 6.
PMID:34228455
Interactive electron-density map interpretation: from INTER to O.
Jones TA.
Acta Crystallogr D Biol Crystallogr. 2004 Dec;60(Pt 12 Pt 1):2115-25. doi: 10.1107/S0907444904023509. Epub 2004 Nov 26.
PMID:15572764
Analytical Model of Electron Density and Its Machine Learning Inference.
Cuevas-Zuviría B, Pacios LF.
J Chem Inf Model. 2020 Aug 24;60(8):3831-3842. doi: 10.1021/acs.jcim.0c00197. Epub 2020 Aug 13.
PMID:32786704
Two-electron Rabi oscillations in real-time time-dependent density-functional theory.
Habenicht BF, Tani NP, Provorse MR, Isborn CM.
J Chem Phys. 2014 Nov 14;141(18):184112. doi: 10.1063/1.4900514.
PMID:25399137
Bio-electron transfer modulated localized surface plasmon resonance biosensing with charge density monitoring.
Chen Z, Zhang F, Li Y, Shan J, Lu Y, Liu Q.
Biosens Bioelectron. 2022 Apr 1;201:113956. doi: 10.1016/j.bios.2021.113956. Epub 2022 Jan 4.
PMID:34998117
Spin-Derived Electric Polarization and Chirality Density Inherent in Localized Electron Orbitals.
Hoshino S, Suzuki MT, Ikeda H.
Phys Rev Lett. 2023 Jun 23;130(25):256801. doi: 10.1103/PhysRevLett.130.256801.
PMID:37418743
Topological Analysis of Electron Density in Large Biomolecular Systems.
Grishina MA, Potemkin VA.
Curr Drug Discov Technol. 2019;16(4):437-448. doi: 10.2174/1570163815666180821165330.
PMID:30147011
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