| Nome |
# |
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Crystal engineering of coordination polymers and architectures using the [Cu(2,2 '-bipy)](2+) molecular corner as building block (bipy=2,2 '-bipyridyl), file dfa8b98f-d275-748b-e053-3a05fe0a3a96
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413
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New examples of self-catenation in two three-dimensional polymeric co-ordination networks, file dfa8b9a7-21d1-748b-e053-3a05fe0a3a96
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388
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Chiral packing of chiral quintuple layers polycatenated to give a three-dimensional network in the coordination polymer [Co-5(bpe)(9)(H2O)(8)(SO4)(4)](SO4)center dot 14H(2)O [bpe=1,2-bis(4-pyridyl)ethane], file dfa8b98f-d277-748b-e053-3a05fe0a3a96
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351
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On the molecular basis of the activity of the antimalarial drug chloroquine : EXAFS-assisted DFT evidence of a direct Fe–N bond with free heme in solution, file dfa8b994-2324-748b-e053-3a05fe0a3a96
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346
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X-ray diffraction and computational studies of the pressure-dependent tetrachloroethane solvation of diphenylanthracene, file dfa8b995-1e3c-748b-e053-3a05fe0a3a96
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291
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Searching New Crystalline Substrates for OMBE : Topological and Energetic Aspects of Cleavable Organic Crystals, file dfa8b994-c9a7-748b-e053-3a05fe0a3a96
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228
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Gold-Catalyzed Cascade Reactions of 4H-Furo[3,2-b]indoles with Allenamides: Synthesis of Indolin-3-one Derivatives, file dfa8b99d-ce76-748b-e053-3a05fe0a3a96
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225
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The TACO Puzzle: A Phase-Transition Mystery Revisited, file dfa8b99c-6322-748b-e053-3a05fe0a3a96
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205
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Sensing of diclofenac by a porphyrin-based artificial receptor, file dfa8b99d-c7a1-748b-e053-3a05fe0a3a96
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191
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Gold(I)-Catalyzed enantioselective synthesis of tetrahydrocarbazoles through dearomative [4+2] cycloadditions of 3/2-substituted 2/3-vinylindoles, file dfa8b9a2-7e20-748b-e053-3a05fe0a3a96
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157
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Correlations of Crystal Structure and Solubility in Organic Salts: The Case of the Antiplasmodial Drug Piperaquine, file dfa8b99c-ecf0-748b-e053-3a05fe0a3a96
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156
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[Zinc(II)(Pyridine‐Containing Ligand)] Complexes as Single‐Component Efficient Catalyst for Chemical Fixation of CO2 with Epoxides, file dfa8b9a6-e8ed-748b-e053-3a05fe0a3a96
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155
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Unravelling the Chemistry of the [Cu(4,7-Dichloroquinoline)2Br2]2 Dimeric Complex through Structural Analysis: A Borderline Ligand Field Case, file dfa8b9a2-4faf-748b-e053-3a05fe0a3a96
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140
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A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC), file dfa8b99c-6323-748b-e053-3a05fe0a3a96
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132
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Anti-inflammatory, antioxidant and crystallographic studies of N-Palmitoyl-ethanol amine (PEA) derivatives, file dfa8b998-cb73-748b-e053-3a05fe0a3a96
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121
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Catalytic Selective Oxidation of Primary and Secondary Alcohols Using Nonheme [Iron(III)(Pyridine-Containing Ligand)] Complexes, file dfa8b9a4-0ef5-748b-e053-3a05fe0a3a96
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121
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Phase Stability and Morphology of Gel Grown Crystals: The Case of CdCl2-bpp Polymeric System, file dfa8b99e-aee6-748b-e053-3a05fe0a3a96
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118
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Controlling selectivity in alkene oxidation : anion driven epoxidation or dihydroxylation catalysed by [Iron(III)(Pyridine‐Containing Ligand)] complexes, file dfa8b99f-0b3f-748b-e053-3a05fe0a3a96
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97
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Intermolecular Recognition of the Antimalarial Drug Chloroquine : A Quantum Theory of Atoms in Molecules–Density Functional Theory Investigation of the Hydrated Dihydrogen Phosphate Salt from the 103 K X-ray Structure, file dfa8b996-7bb0-748b-e053-3a05fe0a3a96
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89
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[Ag(PcL)]-Catalysed Domino Approach to 6-Substituted Benzoxazino Isoquinolines, file dfa8b9a2-07ff-748b-e053-3a05fe0a3a96
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89
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Experimental and theoretical study of the mechanism of action of the antimalarial drug chloroquine, file dfa8b995-f00b-748b-e053-3a05fe0a3a96
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66
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Crystal chemistry and temperature behavior of the natural hydrous borate colemanite, a mineral commodity of boron, file dfa8b9a0-9203-748b-e053-3a05fe0a3a96
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66
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A multi-methodological study of the (K,Ca)-variety of the zeolite merlinoite, file dfa8b9a0-a04c-748b-e053-3a05fe0a3a96
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50
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A crystallographic route to understand drug solubility: the case of 4- aminoquinoline antimalarials, file dfa8b99f-752d-748b-e053-3a05fe0a3a96
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49
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Stereoselective synthesis of 2-spirocyclopropyl-indolin-3-ones through cyclopropanation of aza-aurones with tosylhydrazones, file dfa8b9a6-e823-748b-e053-3a05fe0a3a96
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48
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Crystal growth in gelled solution : applications to coordination polymers, file dfa8b9a6-04d2-748b-e053-3a05fe0a3a96
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46
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On the interplay among non-covalent interactions and activity of 4-aminoquinoline antimalarials: a crystallographic and spectroscopic study, file dfa8b999-1ca4-748b-e053-3a05fe0a3a96
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42
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Crystal growth of coordination polymers by gel diffusion, file dfa8b995-214d-748b-e053-3a05fe0a3a96
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40
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[Ag(PcL)]-Catalysed Domino Approach to 6-Substituted Benzoxazino Isoquinolines, file dfa8b9a1-b0d7-748b-e053-3a05fe0a3a96
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35
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Kinetic-Bias Model for the Dynamic Simulation of Molecular Aggregation. The Liquid, Solute, Solvated-Nanodrop, and Solvated-Nanocrystal States of Benzoic Acid, file 701b7dff-2e87-4b06-96f2-7f7f3bb39ab1
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33
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Synthesis of two unnatural oxygenated aaptaminoids, file dfa8b98f-4352-748b-e053-3a05fe0a3a96
|
33
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Molecular dynamics simulation of organic materials: Structure, potentials and the MiCMoS computer platform, file dfa8b9aa-53fb-748b-e053-3a05fe0a3a96
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31
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Synthesis of Indole‐Fused 1,4‐Diazepinones via Photoredox‐Catalyzed Cascade Cyclization Reaction, file 4bb70cb4-afa6-4f79-a27d-7b83acf1fb1e
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30
|
|
Searching New Crystalline Substrates for OMBE : Topological and Energetic Aspects of Cleavable Organic Crystals, file dfa8b994-c9a8-748b-e053-3a05fe0a3a96
|
30
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Why Is α- D -Glucose Monomorphic? Insights from Accurate Experimental Charge Density at 90 K, file 106478f2-6e71-4ce3-a9cf-a3bd698c16d3
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29
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Molecular Dynamics Simulation of Molecular Crystals under Anisotropic Compression: Bulk and Directional Effects in Anthracene and Paracetamol, file dfa8b9a4-7130-748b-e053-3a05fe0a3a96
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29
|
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[Zinc(II)(Pyridine‐Containing Ligand)] Complexes as Single‐Component Efficient Catalyst for Chemical Fixation of CO2 with Epoxides, file dfa8b9a6-d421-748b-e053-3a05fe0a3a96
|
28
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Nickel (0) Complexes as Promising Chemosensors for Detecting the “Cork Taint” in Wine, file a2bd7b85-5ae5-4aba-9c07-7b2cbdedb9d2
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25
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Porosity and crystal morphology of heterometallic coordination networks from β-diketonate ligands, file dfa8b992-e271-748b-e053-3a05fe0a3a96
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25
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The natural borate colemanite at non-ambient conditions: behavior at low temperature and high pressure, file dfa8b999-2a0a-748b-e053-3a05fe0a3a96
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23
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Synthesis of Cyclohepta[b]indoles by (4 + 3) Cycloaddition of 2-Vinylindoles or 4H-Furo[3,2-b]indoles with Oxyallyl Cations, file dfa8b9a1-8ecb-748b-e053-3a05fe0a3a96
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22
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High-pressure and low-temperature behavior of colemanite: in situ synchrotron X-ray diffraction experiments, file dfa8b999-acec-748b-e053-3a05fe0a3a96
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21
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Correlations among solubility and crystal structure: a crystallographic and spectroscopic study of the antimalarial drug piperaquine, file dfa8b999-bdfc-748b-e053-3a05fe0a3a96
|
20
|
|
Crystallization Screening and Theoretical Studies on Molecular Recognition of D-glucose Molecules, file 37db6c1d-f845-424e-9cd1-fa9e6d25d023
|
19
|
|
Microfluidic‐Assisted Growth of Perovskite Single Crystals for Photodetectors, file b318a058-c72e-4d60-874d-379bf29f34bd
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18
|
|
Searching New Crystalline Substrates for OMBE : Topological and Energetic Aspects of Cleavable Organic Crystals, file dfa8b995-1f6a-748b-e053-3a05fe0a3a96
|
17
|
|
[Zinc(II)(Pyridine‐Containing Ligand)] Complexes as Single‐Component Efficient Catalyst for Chemical Fixation of CO2 with Epoxides, file dfa8b9a6-d422-748b-e053-3a05fe0a3a96
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17
|
|
Halogen-Bonding-Mediated Radical Reactions: The Unexpected Behavior of Piperazine-Based Dithiooxamide Ligands in the Presence of Diiodine, file d7e7db6d-191e-4eeb-8eff-d3b606591957
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15
|
|
Engineering of oxoclusters-reinforced polymeric materials with application as heterogeneous oxydesulfurization catalysts, file dfa8b995-1e3a-748b-e053-3a05fe0a3a96
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9
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Pt(II) nitrile complexes : new insights on old complexes from a combined experimental and theoretical study, file dfa8b999-6bd4-748b-e053-3a05fe0a3a96
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8
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Controlling selectivity in alkene oxidation : anion driven epoxidation or dihydroxylation catalysed by [Iron(III)(Pyridine‐Containing Ligand)] complexes, file dfa8b99f-be32-748b-e053-3a05fe0a3a96
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6
|
|
Molecular Dynamics Simulation of Molecular Crystals under Anisotropic Compression: Bulk and Directional Effects in Anthracene and Paracetamol, file dfa8b9a4-9fbc-748b-e053-3a05fe0a3a96
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6
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|
Study of the key interactions in the self-recognition of the antimalarial drug chloroquine, file 5950afb6-3b88-4de3-8a20-3b17e4fd4b58
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4
|
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Crystal chemistry and temperature behavior of the natural hydrous borate colemanite, a mineral commodity of boron, file dfa8b99b-671c-748b-e053-3a05fe0a3a96
|
4
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|
A single-crystal neutron and X-ray diffraction study of a Li,Be-bearing brittle mica, file dfa8b993-cf00-748b-e053-3a05fe0a3a96
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3
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|
On the molecular basis of the activity of the antimalarial drug chloroquine : EXAFS-assisted DFT evidence of a direct Fe–N bond with free heme in solution, file dfa8b994-4b12-748b-e053-3a05fe0a3a96
|
3
|
|
A multi-methodological study of the (K,Ca)-variety of the zeolite merlinoite, file dfa8b994-c266-748b-e053-3a05fe0a3a96
|
3
|
|
Catalytic Selective Oxidation of Primary and Secondary Alcohols Using Nonheme [Iron(III)(Pyridine-Containing Ligand)] Complexes, file dfa8b9a4-a9fb-748b-e053-3a05fe0a3a96
|
3
|
|
Phosphine‐Catalyzed [3+2] Cycloaddition of Aza‐Aurones and Allenoates: Enantioselective Synthesis of 2‐Spirocyclopentyl‐Indolin‐3‐Ones, file ad36040c-1173-4274-8946-49ed700727e7
|
2
|
|
Phosphine‐Catalyzed [3+2] Cycloaddition of Aza‐Aurones and Allenoates: Enantioselective Synthesis of 2‐Spirocyclopentyl‐Indolin‐3‐Ones, file b56c4ce3-4a49-4b93-bdaa-ad1e186a97bb
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2
|
|
Synthesis of two unnatural oxygenated aaptaminoids, file dfa8b992-b90c-748b-e053-3a05fe0a3a96
|
2
|
|
Cycloaddition versus Alkylation Reactions of 2-Vinylindoles with α,β-Unsaturated Carbonyl Compounds Under Gold Catalysis, file dfa8b992-c36d-748b-e053-3a05fe0a3a96
|
2
|
|
Organometallic Iridium Catalysts Based on Pyridinecarboxylate Ligands for the Oxidative Splitting of Water, file dfa8b993-aee1-748b-e053-3a05fe0a3a96
|
2
|
|
Dinuclear arene ruthenium dichloro complexes designed for host-guest propensity, file dfa8b993-b256-748b-e053-3a05fe0a3a96
|
2
|
|
Synthesis of two unnatural oxygenated aaptaminoids, file dfa8b999-48a0-748b-e053-3a05fe0a3a96
|
2
|
|
Crystallization and structural properties of a family of isotopological 3D-networks : the case of a 4,4′-bipy ligand–M2+ triflate system, file dfa8b99b-741f-748b-e053-3a05fe0a3a96
|
2
|
|
Correlations of Crystal Structure and Solubility in Organic Salts: The Case of the Antiplasmodial Drug Piperaquine, file dfa8b99c-eced-748b-e053-3a05fe0a3a96
|
2
|
|
Controlling selectivity in alkene oxidation : anion driven epoxidation or dihydroxylation catalysed by [Iron(III)(Pyridine‐Containing Ligand)] complexes, file dfa8b99f-06da-748b-e053-3a05fe0a3a96
|
2
|
|
[Ag(PcL)]-Catalysed Domino Approach to 6-Substituted Benzoxazino Isoquinolines, file dfa8b9a2-8e27-748b-e053-3a05fe0a3a96
|
2
|
|
Kinetic-Bias Model for the Dynamic Simulation of Molecular Aggregation. The Liquid, Solute, Solvated-Nanodrop, and Solvated-Nanocrystal States of Benzoic Acid, file ff8dfcdc-c52d-49f3-b1b1-53db79c9826a
|
2
|
|
Synthesis of Indole‐Fused 1,4‐Diazepinones via Photoredox‐Catalyzed Cascade Cyclization Reaction, file 74eae659-a009-4b19-a7a1-75684925a0d5
|
1
|
|
Cycloaddition versus Alkylation Reactions of 2-Vinylindoles with α,β-Unsaturated Carbonyl Compounds Under Gold Catalysis, file dfa8b992-ba82-748b-e053-3a05fe0a3a96
|
1
|
|
Are racemic crystals favored over homochiral crystals by higher stability or by kinetics? Insights from comparative studies of crystalline stereoisomers, file dfa8b993-a37a-748b-e053-3a05fe0a3a96
|
1
|
|
The rubrenic synthesis: the delicate equilibrium between tetracene and cyclobutene, file dfa8b993-ac93-748b-e053-3a05fe0a3a96
|
1
|
|
On the molecular basis of the activity of the antimalarial drug chloroquine : EXAFS-assisted DFT evidence of a direct Fe–N bond with free heme in solution, file dfa8b993-f67f-748b-e053-3a05fe0a3a96
|
1
|
|
Morphological and structural effects of gels on coordination polymers crystallization, file dfa8b995-2cca-748b-e053-3a05fe0a3a96
|
1
|
|
Sensing of diclofenac by a porphyrin-based artificial receptor, file dfa8b99d-c7aa-748b-e053-3a05fe0a3a96
|
1
|
|
Synthesis of Cyclohepta[b]indoles by (4 + 3) Cycloaddition of 2-Vinylindoles or 4H-Furo[3,2-b]indoles with Oxyallyl Cations, file dfa8b9a1-b5f8-748b-e053-3a05fe0a3a96
|
1
|
|
Gold(I)-Catalyzed enantioselective synthesis of tetrahydrocarbazoles through dearomative [4+2] cycloadditions of 3/2-substituted 2/3-vinylindoles, file dfa8b9a3-0742-748b-e053-3a05fe0a3a96
|
1
|
|
Mining the Cambridge Database for theoretical chemistry. Mi-{LJC}: A new set of Lennard-Jones-Coulomb atom-atom potentials for the computer simulation of organic condensed matter, file dfa8b9a3-58cd-748b-e053-3a05fe0a3a96
|
1
|
|
Stereoselective synthesis of 2-spirocyclopropyl-indolin-3-ones through cyclopropanation of aza-aurones with tosylhydrazones, file dfa8b9a7-01c7-748b-e053-3a05fe0a3a96
|
1
|
|
One‐Pot Gold/Acid‐Catalyzed Synthesis of Indolo[1,2‐a]quinolin‐5(6H)‐ones from 1‐(2‐Ethynylphenyl)‐1H‐indoles, file ff7d5df3-2527-4502-a0b1-b69f303c557a
|
1
|
| Totale |
5.005 |