| Nome |
# |
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SOLID-STATE NMR COUPLED WITH GIPAW AB-INITIO CALCULATIONS IN METAL HYDRIDES AND BOROHYDRIDES, file e27ce428-ed68-2581-e053-d805fe0acbaa
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4.168
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Pharmaceutical aspects of salt and cocrystal forms of APIs and characterization challenges, file e27ce42e-de01-2581-e053-d805fe0acbaa
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855
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Crystal structure and tautomerism of Pigment Yellow 138 determined by X-ray powder diffraction and solid-state NMR, file e27ce429-c5bc-2581-e053-d805fe0acbaa
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488
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|
Tuning Carbon Dioxide Adsorption Affinity of Zinc(II) MOFs by Mixing Bis(pyrazolate) Ligands with N-Containing Tags, file e27ce42f-3c01-2581-e053-d805fe0acbaa
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324
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Polymorphs and co-crystals of haloprogin: an antifungal agent, file e27ce426-f726-2581-e053-d805fe0acbaa
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277
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Coupling Solid-State NMR with GIPAW ab Initio Calculations in Metal
Hydrides and Borohydrides, file e27ce426-e320-2581-e053-d805fe0acbaa
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261
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Halogen Bonding and Pharmaceutical Cocrystals: The Case of a Widely Used Preservative, file e27ce426-fd56-2581-e053-d805fe0acbaa
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216
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Improvement of the water solubility of tolfenamic acid by new multiple-component crystals produced by mechanochemical methods, file e27ce427-0c04-2581-e053-d805fe0acbaa
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202
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|
A comprehensive approach to investigate the structural and surface properties of activated carbons and related Pd-based catalysts, file e27ce429-de47-2581-e053-d805fe0acbaa
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179
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Solid-state NMR and thermodynamic investigations on LiBH4-LiNH2 system, file e27ce428-f889-2581-e053-d805fe0acbaa
|
168
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Halogen-Bonding Interactions and Electrochemical Properties of Unsymmetrical Pyrazole Pincer NiII Halides: A Peculiar Behavior of the Fluoride Complex (PCN)NiF, file e27ce42d-c642-2581-e053-d805fe0acbaa
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167
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Using salt cocrystals to improve the solubility of niclosamide, file e27ce42a-6b2a-2581-e053-d805fe0acbaa
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164
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Solid-State NMR-Driven Crystal Structure Prediction of Molecular Crystals: The Case of Mebendazole, file e27ce434-8f66-2581-e053-d805fe0acbaa
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153
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Polyoxometalate Complexes of Anatase-Titanium Dioxide Cores in Water, file e27ce42a-8206-2581-e053-d805fe0acbaa
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151
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|
Vibrational–Structural Combined Study into Luminescent Mixed Copper(I)/Copper(II) Cyanide Coordination Polymers, file e27ce429-c5be-2581-e053-d805fe0acbaa
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139
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Rationale of using Vinca minor Linne dry extract phytocomplex as a vincamine’s oral bioavailability enhancer, file e27ce42a-362b-2581-e053-d805fe0acbaa
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137
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Molecular Salts of the Antidepressant Venlafaxine: An Effective Route to Solubility Properties Modifications, file e27ce42c-4710-2581-e053-d805fe0acbaa
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110
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NMR crystallography: the use of dipolar interactions in polymorph and co-crystal investigation, file e27ce426-fd50-2581-e053-d805fe0acbaa
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104
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|
Li5(BH4)3NH: Lithium-Rich Mixed Anion Complex Hydride, file e27ce42b-6cc2-2581-e053-d805fe0acbaa
|
98
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|
79/81Br nuclear quadrupole resonance spectroscopic characterization of halogen bonds in supramolecular assemblies, file e27ce42d-9629-2581-e053-d805fe0acbaa
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94
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|
Probing Hydrogen Bond Networks in Half-Sandwich Ru(II) Building Blocks by a Combined 1H DQ CRAMPS Solid-State NMR, XRPD, and DFT Approach, file e27ce426-fe2c-2581-e053-d805fe0acbaa
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93
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Natural Abundance 15N and 13C Solid-State NMR Chemical Shifts: High Sensitivity Probes of the Halogen Bond Geometry, file e27ce42a-9c19-2581-e053-d805fe0acbaa
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92
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Solvent-free synthesis of luminescent copper(i) coordination polymers with thiourea derivatives, file e27ce427-60c8-2581-e053-d805fe0acbaa
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90
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|
Strontium and zinc substitution in β-tricalcium phosphate: An X-ray diffraction, solid state NMR and ATR-FTIR study, file e27ce42f-30a6-2581-e053-d805fe0acbaa
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89
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Superfluorinated and NIR-luminescent gold nanoclusters, file e27ce42b-5e93-2581-e053-d805fe0acbaa
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85
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Molecular Crystal Forms of Antitubercular Ethionamide with Dicarboxylic Acids: Solid-State Properties and a Combined Structural and Spectroscopic Study, file e27ce431-23ff-2581-e053-d805fe0acbaa
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82
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|
Mechanochemical formation of racemic praziquantel hemihydrate with improved biopharmaceutical properties, file e27ce431-2c77-2581-e053-d805fe0acbaa
|
80
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Pseudopolymorphism Driven by Stoichiometry and Hydrated/Anhydrous Reagents: The Riveting Case of Methyl Gallate · L-Proline, file e27ce434-8f65-2581-e053-d805fe0acbaa
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80
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Isolation, Characterization, and Environmental
Application of Bio-Based Materials as Auxiliaries
in Photocatalytic Processes, file e27ce42d-8ec0-2581-e053-d805fe0acbaa
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77
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|
Cortisone and cortisol break hydrogen-bonding rules to make a drug–prodrug solid solution, file e27ce430-f407-2581-e053-d805fe0acbaa
|
75
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|
Unexpected Salt/Cocrystal Polymorphism of the Ketoprofen–Lysine System: Discovery of a New Ketoprofen–l-Lysine Salt Polymorph with Different Physicochemical and Pharmacokinetic Properties, file e27ce432-9f89-2581-e053-d805fe0acbaa
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75
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|
CO2 Adsorption Sites in UTSA-16: Multitechnique Approach, file e27ce42a-51ae-2581-e053-d805fe0acbaa
|
69
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Molecular Salts of Anesthetic Lidocaine with Dicarboxylic Acids: Solid-State Properties and a Combined Structural and Spectroscopic Study, file e27ce42b-aebe-2581-e053-d805fe0acbaa
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67
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Hydrogenation via a low energy mechanochemical approach: the MgB2 case, file e27ce432-a63a-2581-e053-d805fe0acbaa
|
63
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|
Self-assembly of arene ruthenium acylpyrazolone fragments to tetranuclear metallacycles. Molecular structures and solid-state 15N CPMAS NMR correlations, file e27ce429-cf5f-2581-e053-d805fe0acbaa
|
61
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|
KNH2-KH: A metal amide-hydride solid solution, file e27ce42a-b3c6-2581-e053-d805fe0acbaa
|
60
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|
Mechanochemically induced disordered structures of vincamine: The different mediation of two cross-linked polymers, file e27ce42a-5c78-2581-e053-d805fe0acbaa
|
59
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Fluorinated PLGA Nanoparticles for Enhanced Drug Encapsulation and 19F NMR Detection, file e27ce431-4105-2581-e053-d805fe0acbaa
|
59
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|
Tuning Carbon Dioxide Adsorption Affinity of Zinc(II) MOFs by Mixing Bis(pyrazolate) Ligands with N-Containing Tags, file e27ce42f-37c2-2581-e053-d805fe0acbaa
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57
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Mechanochemical synthesis and physicochemical characterization of previously unreported praziquantel solvates with 2-pyrrolidone and acetic acid, file e27ce434-63bd-2581-e053-d805fe0acbaa
|
57
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Investigation of Dimethylammonium Solubility in MAPbBr 3 Hybrid Perovskite: Synthesis, Crystal Structure, and Optical Properties, file e27ce42f-a402-2581-e053-d805fe0acbaa
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56
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Novel Composite Plastics Containing Silver(I) Acylpyrazolonato Additives Display Potent Antimicrobial Activity by Contact, file e27ce42a-5642-2581-e053-d805fe0acbaa
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50
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Insights into the Rb-Mg-N-H System: An Ordered Mixed Amide/Imide Phase and a Disordered Amide/Hydride Solid Solution, file e27ce42e-293a-2581-e053-d805fe0acbaa
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50
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Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens, file e27ce432-3cc5-2581-e053-d805fe0acbaa
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50
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Pharmaceutical aspects of salt and cocrystal forms of APIs and characterization challenges, file e27ce42c-46e3-2581-e053-d805fe0acbaa
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49
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From isomorphous to "anisomorphous" ionic co-crystals of barbituric acid upon dehydration and return, file e27ce429-c887-2581-e053-d805fe0acbaa
|
46
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|
Solid State NMR spectra and GIPAW plane-wave investigation of hydrogen storage materials, file e27ce428-eedb-2581-e053-d805fe0acbaa
|
44
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|
Proton in a Confined Space: Structural Studies of H+⊂Crypt-111 Iodide and Some Halogen-Bonded Derivatives, file e27ce432-f063-2581-e053-d805fe0acbaa
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44
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|
Improving Biopharmaceutical Properties of Vinpocetine Through Cocrystallization, file e27ce42a-e455-2581-e053-d805fe0acbaa
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41
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|
Reticular chemistry studies on CuCN derivatives for new luminescent materials, file e27ce42c-b51f-2581-e053-d805fe0acbaa
|
41
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|
Exploration of the polymorph landscape for 1,1,4,4-tetraphenyl-1,3-butadiene, file e27ce427-0fc8-2581-e053-d805fe0acbaa
|
40
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|
A new soluble and bioactive polymorph of praziquantel, file e27ce42d-9500-2581-e053-d805fe0acbaa
|
40
|
|
Synthesis and characterization of novel hydrogen storage materials, file e27ce428-e962-2581-e053-d805fe0acbaa
|
38
|
|
Natural Abundance 15N and 13C Solid-State NMR Chemical Shifts: High Sensitivity Probes of the Halogen Bond Geometry, file e27ce42a-f285-2581-e053-d805fe0acbaa
|
36
|
|
Halogen-Bond Effects on the Thermo- and Photochromic Behaviour of Anil-Based Molecular Co-crystals, file e27ce42b-9b78-2581-e053-d805fe0acbaa
|
28
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|
Unraveling the Hydrogen Bond Network in a Theophylline-Pyridoxine Salt Cocrystal by a Combined X-ray Diffraction, Solid-State NMR, and Computational Approach, file e27ce432-c50a-2581-e053-d805fe0acbaa
|
28
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|
Exploring mechanochemical parameters using a DoE approach: Crystal structure solution from synchrotron XRPD and characterization of a new praziquantel polymorph, file e27ce42f-6ad9-2581-e053-d805fe0acbaa
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25
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Quinoid-Thiophene-Based Covalent Organic Polymers for High Iodine Uptake: When Rational Chemical Design Counterbalances the Low Surface Area and Pore Volume, file 74314c6f-9fd0-4b50-814e-38ce864e83f3
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24
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Determination of the 15 N chemical shift anisotropy in natural abundance samples by proton-detected 3D solid-state NMR under ultrafast MAS of 70 kHz, file e27ce42e-fda0-2581-e053-d805fe0acbaa
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24
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Mechanism of the solvent-free reactions between indole derivatives and 4-nitrobenzaldehyde studied by solid-state NMR and DFT calculations, file e27ce42a-76f5-2581-e053-d805fe0acbaa
|
23
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|
Selective Synthesis of a Salt and a Cocrystal of the Ethionamide-Salicylic Acid System, file e27ce430-be63-2581-e053-d805fe0acbaa
|
19
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|
Engineering Codrug Solid Forms: Mechanochemical Synthesis of an Indomethacin-Caffeine System, file e27ce432-9f77-2581-e053-d805fe0acbaa
|
18
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|
Ca(BH4)2-Mg2NiH4: On the pathway to a Ca(BH4)2 system with a reversible hydrogen cycle, file e27ce42a-05c2-2581-e053-d805fe0acbaa
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17
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Natural Abundance 15N and 13C Solid-State NMR Chemical Shifts: High Sensitivity Probes of the Halogen Bond Geometry, file e27ce42a-cae8-2581-e053-d805fe0acbaa
|
17
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|
[Ag(PPh3)4][(PPh3)CdCl3], the first monomeric trichlorocadmate complex bonded to a phosphorus ligand: a structural and spectroscopic study in solution and solid state., file e27ce42b-3895-2581-e053-d805fe0acbaa
|
17
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|
Amine-templated polymeric Mg formates: crystalline scaffolds exhibiting extensive hydrogen bonding, file e27ce42a-49ce-2581-e053-d805fe0acbaa
|
16
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|
Solvent-free synthesis of luminescent copper(i) coordination polymers with thiourea derivatives, file e27ce427-60ca-2581-e053-d805fe0acbaa
|
15
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|
Structure of the intermediates in the industrial separation of perinone isomers, file e27ce431-2c75-2581-e053-d805fe0acbaa
|
15
|
|
Solvent-free synthesis of luminescent copper(i) coordination polymers with thiourea derivatives, file e27ce432-cb1f-2581-e053-d805fe0acbaa
|
14
|
|
From molecular crystals to salt co-crystals of barbituric acid via the carbonate ion and an improvement of the solid state properties, file e27ce42a-7011-2581-e053-d805fe0acbaa
|
13
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Formation of dibutyl carbonate and butylcarbamate via CO2 insertion in titanium(IV) butoxide and reaction with n-butylamine This work is dedicated to the memory of Prof. M.D. Grillone and Prof. M. Schiavello, file e27ce42b-7157-2581-e053-d805fe0acbaa
|
13
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Solid-state nuclear magnetic resonance as a tool for investigating the halogen bond, file e27ce42b-c0ca-2581-e053-d805fe0acbaa
|
13
|
|
Halogenated imidazo[1,5-a]pyridines: chemical structure and optical properties of a promising luminescent scaffold, file e27ce42f-2624-2581-e053-d805fe0acbaa
|
12
|
|
Fluorinated PLGA Nanoparticles for Enhanced Drug Encapsulation and 19F NMR Detection, file e27ce431-1500-2581-e053-d805fe0acbaa
|
10
|
|
CO2 Adsorption Sites in UTSA-16: Multitechnique Approach, file e27ce431-aca8-2581-e053-d805fe0acbaa
|
10
|
|
Engineering plastic phase transitions via solid solutions: the case of "reordering frustration" in ionic plastic crystals of hydroxyquinuclidinium salts, file e05e994d-a333-4ace-85de-440c99f25781
|
9
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|
Interaction between a Transition-Metal Fluoride and a Transition-Metal Hydride: Water-Mediated Hydrofluoric Acid Evolution Following Fluoride Solvation, file e27ce42a-7017-2581-e053-d805fe0acbaa
|
9
|
|
Combined Solid-State NMR and Computational Approach for Probing the CO2 Binding Sites in a Porous-Organic Polymer, file e27ce42b-ca66-2581-e053-d805fe0acbaa
|
8
|
|
Overcoming the Drawbacks of Sulpiride by Means of New Crystal Forms, file 537c3704-eedd-4601-803a-899988787fcb
|
6
|
|
On the high-temperature phase of barbituric acid, file e27ce42a-79f9-2581-e053-d805fe0acbaa
|
6
|
|
Sorption properties toward environmentally important VOCs of half-sandwich Ru(II) complexes containing perylene bisimide ligands, file e27ce42b-ac26-2581-e053-d805fe0acbaa
|
6
|
|
The effect of surface chemistry on the performances of Pd-based catalysts supported on activated carbons, file e27ce42c-679f-2581-e053-d805fe0acbaa
|
6
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|
Precessional Motion in Crystalline Solid Solutions of Ionic Rotors, file e27ce42d-a57c-2581-e053-d805fe0acbaa
|
6
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Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D, file 077451f0-911d-4f31-a6e8-d99cd3805763
|
5
|
|
Engineering Codrug Solid Forms: Mechanochemical Synthesis of an Indomethacin-Caffeine System, file e27ce42c-b042-2581-e053-d805fe0acbaa
|
5
|
|
Proton in a Confined Space: Structural Studies of H+Crypt-111 Iodide and Some Halogen-Bonded Derivatives, file e27ce42f-039c-2581-e053-d805fe0acbaa
|
5
|
|
Mechanochemical activation of vincamine mediated by linear polymers: Assessment of some “critical” steps, file e27ce42a-26c1-2581-e053-d805fe0acbaa
|
4
|
|
Accurate 1H-14N distance measurements by phase-modulated RESPDOR at ultra-fast MAS, file e27ce42f-22e9-2581-e053-d805fe0acbaa
|
4
|
|
Praziquantel meets Niclosamide: A dual-drug Antiparasitic Cocrystal, file 6c1bba98-e282-4c1c-ad38-83ab507c3e96
|
3
|
|
Zwitterionic or Not? Fast and Reliable Structure Determination by Combining Crystal Structure Prediction and Solid-State NMR, file a45ec733-e8d8-433d-8dcf-8464948f5a1f
|
3
|
|
An integrated characterization strategy on board for recycling of poly(vinyl butyral) (PVB) from laminated glass wastes, file e064ff2c-0b81-4d72-a9ab-adf75a0c6a55
|
3
|
|
Acid–Base Interaction between Transition-Metal Hydrides: Dihydrogen Bonding and Dihydrogen Evolution, file e27ce426-dc2a-2581-e053-d805fe0acbaa
|
3
|
|
Proton in a Confined Space: Structural Studies of H+Crypt-111 Iodide and Some Halogen-Bonded Derivatives, file e27ce42c-1282-2581-e053-d805fe0acbaa
|
3
|
|
Pharmaceutical aspects of salt and cocrystal forms of APIs and characterization challenges, file e27ce42c-8da3-2581-e053-d805fe0acbaa
|
3
|
|
Solid-State Dynamics and High-Pressure Studies of a Supramolecular Spiral Gear, file e27ce430-ea6d-2581-e053-d805fe0acbaa
|
3
|
|
Mixed Organic Cations Promote Ambient Light-Induced Formation of Metallic Lead in Lead Halide Perovskite Crystals, file 48bc57a6-09ab-4e92-9e74-f38c90943f4d
|
2
|
|
Leucopterin, the white pigment in butterfly wings: structural analysis by PDF fit, FIDEL fit, Rietveld refinement, solid-state NMR and DFT-D, file 6b8a5d33-bbde-4a90-aa52-2b1658bfbe86
|
2
|
|
Speeding Up the Cocrystallization Process: Machine Learning-Combined Methods for the Prediction of Multicomponent Systems, file b07d427b-7ec4-49b3-9ac8-6efc62decc5a
|
2
|
|
Ketoprofen, lysine and gabapentin co-crystal magnifies synergistic efficacy and tolerability of the constituent drugs: Pre-clinical evidences towards an innovative therapeutic approach for neuroinflammatory pain, file cf96d21b-b50e-46de-bc54-7c34fa7aad84
|
2
|
|
The Richest Collection of Tautomeric Polymorphs: The Case of 2-Thiobarbituric Acid, file e27ce426-bf1b-2581-e053-d805fe0acbaa
|
2
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| Totale |
11.031 |