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IL MILIONE: a suite of computer programs for crystal structure solution of proteins

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1007/978-94-015-9093-8openalex-snapshot
Direct Methods for Solving Macromolecular Structures
inferredcites →https://doi.org/10.1107/s002188980403225xopenalex-snapshot
SIR2004: an improved tool for crystal structure determination and refinement
inferredcites →https://doi.org/10.1107/s0021889806000331openalex-snapshot
Molecular replacement: the approach of the program REMO
inferredcites →https://doi.org/10.1107/s0021889806017894openalex-snapshot
The revenge of the Patterson methods. I. Protein ab initio phasing
inferredcites →https://doi.org/10.1107/s0021889806028548openalex-snapshot
Use of Patterson-based methods automatically to determine the structures of heavy-atom-containing proteins with up to 6000 non-hydrogen atoms in the asymmetric unit
inferredcites →https://doi.org/10.1107/s0021889887012299openalex-snapshot
MERLOT, an integrated package of computer programs for the determination of crystal structures by molecular replacement
inferredcites →https://doi.org/10.1107/s0021889897006766openalex-snapshot
MOLREP : an Automated Program for Molecular Replacement
inferredcites →https://doi.org/10.1107/s010876730201632xopenalex-snapshot
The method of joint probability distribution functions applied to SIR–MIR and to SIRAS–MIRAS cases
inferredcites →https://doi.org/10.1107/s0108767303021329openalex-snapshot
The estimation of three-phase invariants when anomalous scatterers are present: the limits
inferredcites →https://doi.org/10.1107/s0108767383001117openalex-snapshot
The estimation of two-phase and three-phase invariants inP1 when anomalous scatterers are present
inferredcites →https://doi.org/10.1107/s0108767384000556openalex-snapshot
The method of representations of structure seminvariants. The strengthening of triplet relationships
inferredcites →https://doi.org/10.1107/s0108767387008377openalex-snapshot
On integrating the techniques of direct methods and isomorphous replacement. A new probabilistic formula for triplet invariants
inferredcites →https://doi.org/10.1107/s0108767387099720openalex-snapshot
A reciprocal-space method for calculating a molecular envelope using the algorithm of B.C. Wang
inferredcites →https://doi.org/10.1107/s0108767388004969openalex-snapshot
Patterson-oriented automatic structure determination: getting a good start
inferredcites →https://doi.org/10.1107/s0108767389009311openalex-snapshot
Histogram matching as a new density modification technique for phase refinement and extension of protein molecules
inferredcites →https://doi.org/10.1107/s0108767390002379openalex-snapshot
A probability representation for phase information from multiwavelength anomalous dispersion
inferredcites →https://doi.org/10.1107/s0108767390005530openalex-snapshot
The locked rotation function
inferredcites →https://doi.org/10.1107/s010876739200374xopenalex-snapshot
Patterson-oriented automatic structure determination. Utilizing Patterson peaks
inferredcites →https://doi.org/10.1107/s0108767393007597openalex-snapshot
AMoRe: an automated package for molecular replacement
inferredcites →https://doi.org/10.1107/s0365110x59002274openalex-snapshot
The treatment of errors in the isomorphous replacement method
inferredcites →https://doi.org/10.1107/s0365110x60000510openalex-snapshot
The accurate determination of the position and shape of heavy-atom replacement groups in proteins
inferredcites →https://doi.org/10.1107/s0365110x62000067openalex-snapshot
The detection of sub-units within the crystallographic asymmetric unit
inferredcites →https://doi.org/10.1107/s0365110x67003172openalex-snapshot
A method of positioning a known molecule in an unknown crystal structure
inferredcites →https://doi.org/10.1107/s0567739481000867openalex-snapshot
A translation function combining packing and diffraction information: an application to lysozyme (high-temperature form)
inferredcites →https://doi.org/10.1107/s0567739482000631openalex-snapshot
On integrating the techniques of direct methods and isomorphous replacement. I. The theoretical basis
inferredcites →https://doi.org/10.1107/s0567739482001314openalex-snapshot
On integrating the techniques of direct methods with anomalous dispersion. I. The theoretical basis

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Highly diastereoselective four-component synthesis of polysubstituted 1,4,5,6-tetrahydropyridines
inferred← citeshttps://doi.org/10.1007/s10870-023-00987-zopenalex-snapshot
Weak Interaction Based Interpretation of Crystal Packing Characteristics of Aromatic Rings Accumulating Molecules: Hirshfeld Surface Analyses Reinforced X-ray Crystal Study on 1,8-Dibenzoyl-7-Ethoxynaphthalen-2-ol and Its 2-Ethoxylated Homologue
inferred← citeshttps://doi.org/10.1007/s10870-025-01041-wopenalex-snapshot
Crystal Structure of Anthracen-9-yl(3,6-dimethoxynaphthalen-2-yl)methanone: Decisive Factors for Formation of Two-Fold Helical Molecular Assemblies in Three Directions Affording Chiral Crystal
inferred← citeshttps://doi.org/10.1007/s10876-016-1110-zopenalex-snapshot
pK a(L) Dependences of Structural, Electrochemical, and Photophysical Properties of Octahedral Hexamolybdenum(II) Clusters: [Mo6 X 8 L 6]2− (X = Br or I; L = carboxylate)
inferred← citeshttps://doi.org/10.1007/s10876-020-01942-0openalex-snapshot
A New Mn(II) Coordination Polymer Based on Tetranuclear Clusters: Synthesis, Structure and Magnetic Property
inferred← citeshttps://doi.org/10.1007/s11244-022-01701-7openalex-snapshot
A Hybrid Nanocomposite of Coordination Polymer and rGO for Photocatalytic Degradation of Safranin-O Dye Under Visible Light Irradiation
inferred← citeshttps://doi.org/10.1007/s12039-018-1482-8openalex-snapshot
Three atropisomers of biphenyl: twist by tunable para substituents
inferred← citeshttps://doi.org/10.1007/s12210-014-0371-4openalex-snapshot
Single nano crystal analysis using automated electron diffraction tomography
inferred← citeshttps://doi.org/10.1007/s12678-022-00727-5openalex-snapshot
A Structurally Precise Ag(I) Complex Bulk-Modified Carbon Paste Electrode for Effective H2O2-Sensing
inferred← citeshttps://doi.org/10.1007/s12678-024-00866-xopenalex-snapshot
Ni(II) Complex Based on Imidazole Dicarboxylic Acid as a Promising Electrocatalyst for Hydrogen Evolution Reaction and H2O2-Sensing
inferred← citeshttps://doi.org/10.1007/s13659-019-00224-1openalex-snapshot
Gastrodin Derivatives from Gastrodia elata
inferred← citeshttps://doi.org/10.1007/s13738-022-02571-2openalex-snapshot
Structural and computational analysis, spectroscopic and electrochemical elucidation of a Schiff base
inferred← citeshttps://doi.org/10.1007/s13738-026-03499-7openalex-snapshot
Comprehensive structural, spectroscopic, DFT, Hirshfeld surface, and nonlinear optical investigations of (E)-N′-(2,5-dimethoxybenzylidene)-4-fluorobenzohydrazide
inferred← citeshttps://doi.org/10.1016/b978-0-12-394396-5.00001-4openalex-snapshot
Precession Electron Diffraction
inferred← citeshttps://doi.org/10.1016/j.arabjc.2017.09.015openalex-snapshot
Synthesis, physicochemical elucidation, biological screening and molecular docking studies of a Schiff base and its metal(II) complexes
inferred← citeshttps://doi.org/10.1016/j.bbrc.2020.03.150openalex-snapshot
Crystal structure of the winged-helix domain of MCM8
inferred← citeshttps://doi.org/10.1016/j.bioorg.2024.107337openalex-snapshot
Dual site reactivity of indole-3-Schiff bases with S/Se/Cl substituted ketenes for stereoselective C-4 substituted indole-β-lactams, biological evaluations, magic chloro effect and molecular docking studies
inferred← citeshttps://doi.org/10.1016/j.bioorg.2024.108112openalex-snapshot
Synthesis, X-ray, antioxidant, in-vitro biological & in-silico docking studies of novel organoselenides: Promising colorectal cancer inhibitors
inferred← citeshttps://doi.org/10.1016/j.bmc.2011.04.031openalex-snapshot
Synthesis and evaluation of strand and turn modified ring-extended gramicidin S derivatives
inferred← citeshttps://doi.org/10.1016/j.bmc.2015.05.017openalex-snapshot
Design, synthesis and biological evaluation of a novel series of peripheral-selective noradrenaline reuptake inhibitor
inferred← citeshttps://doi.org/10.1016/j.bmc.2016.05.038openalex-snapshot
Design, synthesis, and biological evaluation of a novel series of peripheral-selective noradrenaline reuptake inhibitors—Part 2
inferred← citeshttps://doi.org/10.1016/j.bmc.2016.06.014openalex-snapshot
Design, synthesis, and biological evaluation of a novel series of peripheral-selective noradrenaline reuptake inhibitors – Part 3
inferred← citeshttps://doi.org/10.1016/j.bmc.2017.12.006openalex-snapshot
Discovery of orally efficacious RORγt inverse agonists, part 1: Identification of novel phenylglycinamides as lead scaffolds
inferred← citeshttps://doi.org/10.1016/j.bmc.2017.12.008openalex-snapshot
Discovery of orally efficacious RORγt inverse agonists. Part 2: Design, synthesis, and biological evaluation of novel tetrahydroisoquinoline derivatives
inferred← citeshttps://doi.org/10.1016/j.bmc.2018.04.008openalex-snapshot
Discovery of novel serine palmitoyltransferase inhibitors as cancer therapeutic agents
inferred← citeshttps://doi.org/10.1016/j.cej.2024.157905openalex-snapshot
An ultrasensitive NO2 sensor based on lightweight flexible organic single crystals
inferred← citeshttps://doi.org/10.1016/j.cej.2025.165636openalex-snapshot
Incorporation of Sn4+ extends the visible-light response of ZIF-8 for efficient photocatalytic nitrogen fixation
inferred← citeshttps://doi.org/10.1016/j.crci.2014.03.009openalex-snapshot
A proton transfer and a cobalt(II) compound including 2,6-pyridinedicarboxylate and o-phenylenediamine ions: Synthesis, characterization, crystal structure and solution study
inferred← citeshttps://doi.org/10.1016/j.dyepig.2015.05.038openalex-snapshot
Triarylmethane dye-conjugated hexanuclear zinc complexes: Photophysical properties and cyanide anion-binding behavior
inferred← citeshttps://doi.org/10.1016/j.dyepig.2017.07.055openalex-snapshot
A variety of solid-state fluorescence properties of pyrazine dyes depending on terminal substituents
inferred← citeshttps://doi.org/10.1016/j.dyepig.2019.107701openalex-snapshot
A new Cu2+-selective fluorescent probe with six-membered spirocyclic hydrazide and its application in cell imaging
inferred← citeshttps://doi.org/10.1016/j.dyepig.2022.110226openalex-snapshot
Synthesis of quinoline based molecular probes for detection of nitric oxide
inferred← citeshttps://doi.org/10.1016/j.ejmech.2023.116038openalex-snapshot
Discovery and development of BI 1265162, an ENaC inhibitor for the treatment of cystic fibrosis
inferred← citeshttps://doi.org/10.1016/j.electacta.2022.140442openalex-snapshot
Anion-regulated cobalt coordination polymer: Construction, electrocatalytic hydrogen evolution and L-cysteine electrochemical sensing
inferred← citeshttps://doi.org/10.1016/j.epsl.2011.08.019openalex-snapshot
A new hydrous Al-bearing pyroxene as a water carrier in subduction zones
inferred← citeshttps://doi.org/10.1016/j.eurpolymj.2023.111830openalex-snapshot
Fluorine and hydroxyl containing unsymmetrical a-diimine Ni (II) dichlorides with improved catalytic performance for ethylene polymerization
inferred← citeshttps://doi.org/10.1016/j.foodchem.2026.151264openalex-snapshot
Tetramodal saccharin (SAC) sensing with a novel Ba-MOF: Leveraging SAC-induced PET effect and enhanced photocatalytic oxidase-mimicking activity
inferred← citeshttps://doi.org/10.1016/j.ica.2007.09.017openalex-snapshot
Copper(I)–organophosphine complexes of bis(3,5-dimethylpyrazol-1-yl)dithioacetate ligand
inferred← citeshttps://doi.org/10.1016/j.ica.2011.05.011openalex-snapshot
A new route to N(1)-5R-tetrazole complexes via azidation to nitriles coordinated to Pt(II) and Pt(IV)
inferred← citeshttps://doi.org/10.1016/j.ica.2011.11.003openalex-snapshot
Facile base-free addition of methanol to PtII-activated nitriles. X-ray structure of a platinum(II) complex bearing unsymmetrical N-bound urea
inferred← citeshttps://doi.org/10.1016/j.ica.2012.04.035openalex-snapshot
Cyclometalated phenylquinoline rhodium complexes as protein kinase inhibitors
inferred← citeshttps://doi.org/10.1016/j.ica.2012.12.034openalex-snapshot
Mono- and dinuclear uranyl(VI) complexes with chiral Schiff base ligand
inferred← citeshttps://doi.org/10.1016/j.ica.2013.01.011openalex-snapshot
Hydrogen-bonding interactions, geometrical selectivity and spectroscopic properties of cobalt(III) complexes with unsymmetrical tridentate amine-amidato-phenolato type ligands
inferred← citeshttps://doi.org/10.1016/j.ica.2014.12.030openalex-snapshot
Syntheses, crystal structures, and spectroscopic properties of mixed-ligand cobalt(III) complexes with optically active penicillaminates: Stereospecific interactions and spontaneous crystallizations depending on counter anions
inferred← citeshttps://doi.org/10.1016/j.ica.2015.08.021openalex-snapshot
Three octamolybdate-templated inorganic–organic hybrid frameworks based on dinuclear/tetranuclear metal-tetrazole clusters
inferred← citeshttps://doi.org/10.1016/j.ica.2016.01.032openalex-snapshot
Syntheses and structures of three entangled coordination polymers based on the bifunctional ligand 4-((3-(pyridin-4-yl)-1H-pyrazol-1-yl)methyl)benzoic acid
inferred← citeshttps://doi.org/10.1016/j.ica.2016.03.046openalex-snapshot
Three-dimensional hydrogen bonding network in the structures of (dimethylcyanamide)cobalt(II) complexes
inferred← citeshttps://doi.org/10.1016/j.ica.2016.06.002openalex-snapshot
Stereospecific interaction of optically active sulfur-bridged dinuclear Co(III)–Pt(II) complex with pseudo-enantiomeric Co(III)–M(II) (M: Pd or Pt) complex involving unequivalent π electronic system
inferred← citeshttps://doi.org/10.1016/j.ica.2017.06.052openalex-snapshot
Optical resolution of N-(t-butoxycarbonyl)leucine through mixed ligand complex formation with (R)-N-(2-pyridylmethyl)pipecolatocopper(II)
inferred← citeshttps://doi.org/10.1016/j.ica.2017.11.048openalex-snapshot
Structures and properties of five metal–organic frameworks based on 3,3′,5,5′-azoxybenzenetetracarboxylic acid and different secondary building units
inferred← citeshttps://doi.org/10.1016/j.ica.2018.08.009openalex-snapshot
The structure of four thallium tris(1H-pyrazol-1-yl)hydroborates in the solid state by X-ray crystallography and in solution by NMR and DFT-GIAO calculations
inferred← citeshttps://doi.org/10.1016/j.ica.2018.10.036openalex-snapshot
Binuclear and mononuclear copper(II) chlorido complexes with hindered neutral N3 type ligands: Influence of ligand framework and charge on their structure and physicochemical properties
inferred← citeshttps://doi.org/10.1016/j.ica.2019.04.048openalex-snapshot
Two new supramolecular compounds with reversible skeleton structure changes during dehydration and rehydration: Synthesis and characterization
inferred← citeshttps://doi.org/10.1016/j.ica.2019.118979openalex-snapshot
Syntheses, crystal structures, and solid-state spectroscopic properties of helical and non-helical dinuclear zinc(II) complexes derived from N2O2 ligands with different torsion-generating sources
inferred← citeshttps://doi.org/10.1016/j.ica.2019.119124openalex-snapshot
Dinuclear lanthanoid(III) dithiocarbamato complexes bridged by (E)-N-benzylidenepicolinohydrazonate: Syntheses, crystal structures and spectroscopic properties
inferred← citeshttps://doi.org/10.1016/j.ica.2020.119918openalex-snapshot
Two heteronuclear ZnII/CdII-DyIII complexes based on open-chain ether schiff base ligand: Synthesis, structures, fluorescence and antioxidation activity
inferred← citeshttps://doi.org/10.1016/j.ica.2021.120371openalex-snapshot
A series of new hetero-decanucleus sandwich Cd–Ln clusters constructed from open-chain ether Schiff base and niacin ligands: Synthesis, structure, luminescence and antioxidant activity
inferred← citeshttps://doi.org/10.1016/j.ica.2021.120464openalex-snapshot
Versatility of coordination modes of N’-(pyridin-2-ylmethylene)picolinoylhydrazidate in the mononuclear cobalt(III) and polynuclear cobalt(II) complexes
inferred← citeshttps://doi.org/10.1016/j.ica.2022.121208openalex-snapshot
Two new Ag-MOFs: Synthesis, structure, electrocatalytic hydrogen evolution and H2O2 electrochemical sensing
inferred← citeshttps://doi.org/10.1016/j.ica.2023.121567openalex-snapshot
The copper(II) coordination chemistry of alkyl substituted bispyrazole pyridine ligands: Structure and spectral properties
inferred← citeshttps://doi.org/10.1016/j.ica.2024.121968openalex-snapshot
Cd2+-selective fluorescence enhancement of N,N’-bis(2-quinolylmethyl)-N,N’-dimethyl-1,2-phenylenediamine derivatives
inferred← citeshttps://doi.org/10.1016/j.ica.2024.122283openalex-snapshot
Coordination chemistry of 4-aminopyrazole: Structure and physicochemical properties of cobalt(II) chlorido complexes, and amino group reactivity towards a ketone to yield an imine bond
inferred← citeshttps://doi.org/10.1016/j.ica.2025.122978openalex-snapshot
Multifunctional Schiff Base probe for selective V(III) sensing and potent antioxidant, antileishmanial, and antibacterial activities
inferred← citeshttps://doi.org/10.1016/j.ica.2026.123330openalex-snapshot
Silver(I) coordination polymers ligated by bipyrazole Me4bpzH2: Structures, properties, and catalytic carbon dioxide incorporation into propargyl alcohol
inferred← citeshttps://doi.org/10.1016/j.ijpharm.2025.125661openalex-snapshot
The new cocrystal of molnupiravir-caprolactam discovered by melt crystallization with improved tableting properties
inferred← citeshttps://doi.org/10.1016/j.inoche.2019.107503openalex-snapshot
Two interpenetrated metal-organic frameworks: The CH4 and CO2 adsorption and in-situ XRD studies
inferred← citeshttps://doi.org/10.1016/j.inoche.2025.114578openalex-snapshot
Synthesis, structural characterization, and biological evaluation of Ni(II), Zn(II), and Cu(II) complexes with Schiff base derived from dehydroacetic acid
inferred← citeshttps://doi.org/10.1016/j.jallcom.2015.10.230openalex-snapshot
Single crystal structure determination and refinement of AgZrCu 4 and Ag-containing Cu 10 Zr 7 by precession electron diffraction and tomography techniques
inferred← citeshttps://doi.org/10.1016/j.jallcom.2016.02.070openalex-snapshot
Refinement of the Al-rich part of the Al–Cu–Re phase diagram and atomic model of the ternary Al6.2Cu2Re phase
inferred← citeshttps://doi.org/10.1016/j.jallcom.2020.158328openalex-snapshot
Structural study of Al78Mn17.5Pt4.5 and (re)constitution of the Al–Mn–Pt system in its vicinity
inferred← citeshttps://doi.org/10.1016/j.jallcom.2023.171260openalex-snapshot
Formation and structure of the Al–Mn–Pt “Robinson-type” phase
inferred← citeshttps://doi.org/10.1016/j.jics.2022.100402openalex-snapshot
Crystal structure analysis, Hirshfeld surface analysis, spectral investigations (FT-IR, FT-R), DFT calculations, ADMET studies and molecular docking of 3H-Methyl-1H-pyrazole-1-carboxamide (3MPC)
inferred← citeshttps://doi.org/10.1016/j.jinorgbio.2009.10.002openalex-snapshot
Trans–cis–cis-[RuCl2(DMSO)2(2-amino-5-methyl-thiazole)2], (PMRu52), a novel ruthenium(II) compound acting as a strong inhibitor of cathepsin B
inferred← citeshttps://doi.org/10.1016/j.jinorgbio.2015.01.005openalex-snapshot
Octahedral rhodium(III) complexes as kinase inhibitors: Control of the relative stereochemistry with acyclic tridentate ligands
inferred← citeshttps://doi.org/10.1016/j.jinorgbio.2015.05.013openalex-snapshot
A versatile salicyl hydrazonic ligand and its metal complexes as antiviral agents
inferred← citeshttps://doi.org/10.1016/j.jinorgbio.2021.111597openalex-snapshot
Thermally stable manganese(III) peroxido complexes with hindered N3 tripodal ligands: Structures and their physicochemical properties
inferred← citeshttps://doi.org/10.1016/j.jlumin.2020.117437openalex-snapshot
Construction of d-f heteronuclear complexes with open-chain ether Schiff base ligand: Regulation effects of Zn(II) and Cd(II) on structures and luminescence properties
inferred← citeshttps://doi.org/10.1016/j.jmrt.2022.10.167openalex-snapshot
Fabrication of novel copper MOF nanoparticles for nanozymatic detection of mercury ions
inferred← citeshttps://doi.org/10.1016/j.jorganchem.2011.01.008openalex-snapshot
Synthesis of (E)-2-(1-ferrocenylmethylidene)malonic acid derivatives by a cobalt-catalyzed domino reaction of ethyl diazoacetate, carbon monoxide and ferrocenylimines
inferred← citeshttps://doi.org/10.1016/j.jorganchem.2016.03.023openalex-snapshot
Coinage metal complexes of the carbenic tautomer of Nitron
inferred← citeshttps://doi.org/10.1016/j.jphotochem.2019.03.021openalex-snapshot
Spectroscopic properties of push-pull 2-(4-carboxyphenyl)-6-dimethylaminobenzothiazole derivatives in solution and the solid state
inferred← citeshttps://doi.org/10.1016/j.jphotochem.2020.112716openalex-snapshot
Photophysical properties and photosensitizing abilities for hydrogen evolution reactions of robust cyclometalated iridium(III) complexes with 5,5′-bis(trifluoromethyl)-2,2′-bipyridine
inferred← citeshttps://doi.org/10.1016/j.jssc.2011.02.015openalex-snapshot
Determining the structure of tetragonal Y2WO6 and the site occupation of Eu3+ dopant
inferred← citeshttps://doi.org/10.1016/j.jssc.2014.01.012openalex-snapshot
Sr4Ru6ClO18, a new Ru4+/5+ oxy-chloride, solved by precession electron diffraction: Electric and magnetic behavior
inferred← citeshttps://doi.org/10.1016/j.jssc.2014.08.014openalex-snapshot
Crystal structure and orbital-singlet state of Ag x VP 2 O 7
inferred← citeshttps://doi.org/10.1016/j.jssc.2015.05.018openalex-snapshot
Metal–organic frameworks assembled from lanthanide and 2,5-pyridinedicaboxylate with cubane-like [Ln4(OH)4] building units
inferred← citeshttps://doi.org/10.1016/j.jssc.2021.122868openalex-snapshot
Synthesis and properties of a novel photochromic metal organic framework for rapid amine selective sensing and Cr2O72− detection
inferred← citeshttps://doi.org/10.1016/j.materresbull.2024.112978openalex-snapshot
A comprehensive study of crystal structure, UV–visible study, electric-dielectric properties of a recently developed Hybrid Material [(C6H5N2)2ZnCl4]
inferred← citeshttps://doi.org/10.1016/j.microc.2020.104705openalex-snapshot
Dehydroacetic acid derived Schiff base as selective and sensitive colorimetric chemosensor for the detection of Cu(II) ions in aqueous medium
inferred← citeshttps://doi.org/10.1016/j.microc.2021.106824openalex-snapshot
Metal organic framework as “turn-on” fluorescent sensor for Zr(IV) ions and selective adsorbent for organic dyes
inferred← citeshttps://doi.org/10.1016/j.micromeso.2012.02.024openalex-snapshot
Applications of automated diffraction tomography (ADT) on nanocrystalline porous materials
inferred← citeshttps://doi.org/10.1016/j.micromeso.2014.01.014openalex-snapshot
MZ-35, a new layered pentasil borosilicate synthesized in the presence of large alkali cations
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