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Comprehensive Investigation of The Dihydrogenphosphate Hybrid: Hirshfeld Surface Analysis, Dft Evaluation, Electron Localization Function, Non-Covalent Interaction, and Docking Molecular Study on Anticancer

https://doi.org/10.2139/ssrn.4763250
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Molecular structure, NLO, MEP, NBO analysis and spectroscopic characterization of 2,5-dimethylanilinium dihydrogen phosphate with experimental (FT-IR and FT-Raman) techniques and DFT calculations
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Computational tools for the electron localization function topological analysis
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Structural Basis for Selective Inhibition of Trypanosomatid Glyceraldehyde-3-Phosphate Dehydrogenase: Molecular Docking and 3D QSAR Studies
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Theoretical Evaluation of Electron Delocalization in Aromatic Molecules by Means of Atoms in Molecules (AIM) and Electron Localization Function (ELF) Topological Approaches
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Electrostatic Potentials from Self-Consistent Hirshfeld Atomic Charges
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Ga(2,2‘-bipy)(HPO4)(H2PO4): First Layered Inorganic−Organic Hybrid Gallium Phosphate with a Neutral Framework
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Synthesis, Structure, and Thermal Properties of Soluble Hydrazinium Germanium(IV) and Tin(IV) Selenide Salts
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Comparison of DFT Methods for Molecular Orbital Eigenvalue Calculations
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Structural basis for androgen specificity and oestrogen synthesis in human aromatase
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Structure based pharmacophore modeling, virtual screening, molecular docking and ADMET approaches for identification of natural anti-cancer agents targeting XIAP protein
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Layered cobalt phosphate grafted with hydrazinium ligands: Co2(PO4)(H2PO4)N2H5
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A simple model for calculating atomic charges in molecules
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A new mixing of Hartree–Fock and local density-functional theories
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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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Dihydrogen phosphate mediated supramolecular frameworks in 2- and 4-chloroanilinium dihydrogen phosphate salts
inferredcites →https://doi.org/10.1107/s0108270191001415openalex-extracted
Crystal chemistry of cyclo-hexaphosphates. XVIII. Structures of ethylammonium cyclo-hexaphosphate tetrahydrate and hydrazinium(1+) hydrazinium(2+) cyclo-hexaphosphate
inferredcites →https://doi.org/10.1107/s0365110x62002066openalex-extracted
An X-ray study of hydrazine hydrate N2H4.H2O
inferredcites →https://doi.org/10.1107/s2056989015020010openalex-extracted
Crystal structure of hydrazine iron(III) phosphate, the first transition metal phosphate containing hydrazine
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1,1-Bis(diphenylphosphoryl)hydrazine
inferredcites →https://doi.org/10.1186/s43088-019-0028-6openalex-extracted
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Potent protein tyrosine phosphatase 1B (PTP1B) inhibiting constituents from Anoectochilus chapaensis and molecular docking studies
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