Resultados totales (Incluyendo duplicados): 45302
Encontrada(s) 4531 página(s)
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330469
Dataset. 2022

ASSOCIATION BETWEEN DIET AND FECAL MICROBIOTA ALONG THE FIRST YEAR OF LIFE [DATASET]

  • Gómez-Martín, María
  • Saturio López, Silvia
  • Arboleya, Silvia
  • Herrero-Morín, David
  • Calzón Frechoso; Margot
  • López Castellanos; Teresa
  • González Solares, Sonia
  • Gueimonde Fernández, Miguel
Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/330469
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330469
HANDLE: http://hdl.handle.net/10261/330469
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330469
PMID: http://hdl.handle.net/10261/330469
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330469
Ver en: http://hdl.handle.net/10261/330469
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330469

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330476
Dataset. 2022

SUPPORTING INFORMATION: ACETYL GROUP MIGRATION IN XYLAN AND GLUCAN MODEL COMPOUNDS AS STUDIED BY EXPERIMENTAL AND COMPUTATIONAL METHODS

  • Lassfolk, Robert
  • Pedrón, Manuel
  • Tejero, Tomás
  • Merino, Pedro
  • Wärnå, Johan
  • Leino, Reko
Synthetic procedures, NMR spectra, migration data, and computational modeling., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/330476
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330476
HANDLE: http://hdl.handle.net/10261/330476
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330476
PMID: http://hdl.handle.net/10261/330476
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330476
Ver en: http://hdl.handle.net/10261/330476
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330476

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330477
Dataset. 2022

SUPPORTING INFORMATION: ACTIVATION OF H-H, HO-H, C(SP2)-H, C(SP3)-H, AND RO-H BONDS BY TRANSITION-METAL FRUSTRATED LEWIS PAIRS BASED ON M/N (M = RH, IR) COUPLES

  • Carmona, María
  • Pérez, Roberto
  • Ferrer, Joaquina
  • Rodríguez, Ricardo
  • Passarelli, Vincenzo
  • Lahoz, Fernando J.
  • García-Orduña, Pilar
  • Carmona, Daniel
The synthesis and characterization of the complexes 1–8; 1H, 31P{1H}, and 13C{1H} spectra for the complexes 2, 4, 6, 7, and 8; CD of complexes 1 and 2; dehydrogenation reaction of complexes 5 and 6; kinetic studies for the H/D exchange at Cp* of complex 3; kinetic studies for acceptorless alcohol dehydrogenation; crystal structure determination of 1, 2, 4, 7, 8a, and 8b; DFT calculations, and energies and coordinates of calculated structures., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/330477
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330477
HANDLE: http://hdl.handle.net/10261/330477
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330477
PMID: http://hdl.handle.net/10261/330477
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330477
Ver en: http://hdl.handle.net/10261/330477
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330477

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330479
Dataset. 2022

SUPPORTING INFORMATION FOR: MECHANISTIC VERSATILITY AT IR(PSIP) PINCER CATALYSTS: TRIFLATE PROTON SHUTTLING FROM 2-BUTYNE TO DIENE AND [3]DENDRALENE MOTIFS

  • Andrés, José L.
  • Suárez, Elizabeth
  • Martín, Marta
  • Sola, Eduardo
Catalytic and synthetic experimental procedures, characterization data, computational details, calculated energies, and additional schemes and figures (PDF). Coordinates of optimized complexes, intermediates, and transition states (xyz)., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/330479
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330479
HANDLE: http://hdl.handle.net/10261/330479
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330479
PMID: http://hdl.handle.net/10261/330479
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330479
Ver en: http://hdl.handle.net/10261/330479
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330479

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330481
Dataset. 2022

SUPPORTING INFORMATION - NUCLEOPHILIC REACTIVITY AT A ═CH ARM OF A LUTIDINE-BASED CNC/RH SYSTEM: UNUSUAL ALKYNE AND CO2 ACTIVATION

  • Hermosilla, Pablo
  • García-Orduña, Pilar
  • Sanz Miguel, Pablo J.
  • Polo, Víctor
  • Casado, Miguel A.
NMR spectra (S2) and DFT studies (S18)., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/330481
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330481
HANDLE: http://hdl.handle.net/10261/330481
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330481
PMID: http://hdl.handle.net/10261/330481
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330481
Ver en: http://hdl.handle.net/10261/330481
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330481

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330483
Dataset. 2022

SUPPORTING INFORMATION FOR STERIC AND ELECTRONIC EFFECTS IN N-HETEROCYCLIC CARBENE GOLD(III) COMPLEXES: AN EXPERIMENTAL AND COMPUTATIONAL STUDY

  • Rosero-Mafla, Miguel A.
  • Zapata-Rivera, Jhon
  • Gimeno, M. Concepción
  • Visbal, Renso
Supplementary Materials: Figure S1: Electronic spectrum of complex 1. Figure S2: Electronic spectrum of complex 2. Figure S3: Electronic spectrum of complex 3. Figure S4: 1H NMR spectrum of intermediate 1 in DMSO-d6. Figure S5: 1H NMR spectrum of complex 1 in DMSO-d6. Figure S6: 13C-{1H} (APT) NMR spectrum of complex 1 in DMSO-d6. Figure S7: ESI+-MS spectrum of complex 1. Figure S8: 1H NMR spectrum of intermediate 2 in acetone-d6. Figure S9: 1H NMR spectrum of complex 2 in acetone-d6. Figure S10: 13C-{1H} (APT) NMR spectrum of complex 2 in acetone-d6. Figure S11: ESI+-MS spectrum of complex 2. Figure S12: 1H NMR spectrum of intermediate 3 in acetone-d6. Figure S13: 1H NMR spectrum of complex 3 in acetone-d6. Figure S14: 13C-{1H} (APT) NMR spectrum of complex 3 in acetone-d6. Figure S15: ESI+-MS spectrum of complex 3. Figure S16: 1H NMR spectrum of intermediate 4 in chloroform-d. Figure S17: 1H NMR spectrum of complex 4 in chloroform-d. Figure S18: 13C-{1H} (APT) NMR spectrum of complex 4 in chloroform-d. Figure S19: ESI−-MS spectrum of complex 4. Figure S20: Solid structure of complex 1. Table S1: X-ray Crystallographic data for complex 1. Table S2: Selected bond lengths (Å) for complex 1. Table S3: Selected bond angles (°) for complex 1. Figure S21: Solid structure of complex 2. Table S4: X-ray Crystallographic data for complex 2. Table S5: Selected bond lengths (Å) for complex 2. Table S6: Selected bond angles (°) for complex 2. Figure S22: Solid structure of salt 4. Table S7: X-ray Crystallographic data for salt 4. Table S8: Selected bond lengths (Å) for salt 4. Table S6: Selected bond angles (°) for complex 2. Figure S23: Diagram for the 𝜎 interaction between 1-(9-acridine)-3-methylimidazol-2-ylidene and [AuCl3] species enabling the formation of complex 1. b) Lowest energy particle, or LUMO, of complex 1. Figure S24: Diagram for the 𝜎 interaction between 1-(9-acridine)-3-methylimidazolylidene and [AuCl(C6F5)2] species enabling the formation of complex 2. Figure S25: Diagram for the 𝜎 interaction between 1,3-Bis(2,6-diisopropylphenyl)imidazolidin-2-ylidene (SIPr) and [Au(C6F5)3] species enabling the formation of complex 4*. Figure S26: Diagram for the 𝜎 interaction between [C6F5]− fragment and [Au(C6F3)3] species enabling the formation of anion 4. Figure S27: Calculated absorption spectrum via transition electric dipole moments of complex 3. Figure S28: Molecular orbitals involved in the dominant electronic transitions that lead to the studied excited singlet states of complex 3. Table S7: Relative entalpies of intermediates and products (kcal·mol−1) of complexes 3, 4 and 4*. Table S8: Relative free energies of intermediates and products (kcal·mol−1) of complexes 3, 4 and 4*. Geometries., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/330483
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330483
HANDLE: http://hdl.handle.net/10261/330483
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330483
PMID: http://hdl.handle.net/10261/330483
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330483
Ver en: http://hdl.handle.net/10261/330483
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330483

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330485
Dataset. 2022

SUPPORTING INFORMATION: VISIBLE-LIGHT-PROMOTED IRIDIUM(III)-CATALYZED ACCEPTORLESS DEHYDROGENATION OF N-HETEROCYCLES AT ROOM TEMPERATURE

  • Mejuto, Carmen
  • Ibáñez-Ibáñez, Laura
  • Guisado‐Barrios, Gregorio
  • Mata, José A.
Experimental details, synthetic procedures, spectroscopic data, and catalytic studies (PDF). Crystallographic data for Ir–H (CIF)., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/330485
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330485
HANDLE: http://hdl.handle.net/10261/330485
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330485
PMID: http://hdl.handle.net/10261/330485
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330485
Ver en: http://hdl.handle.net/10261/330485
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330485

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330489
Dataset. 2022

SUPPORTING INFORMATION: ANION BINDING BASED ON HG3 ANTICROWNS AS MULTIDENTATE LEWIS ACIDIC HOSTS

  • Loveday, Oliver
  • Jover, Jesús
  • Echeverría, Jorge
Linear correlations between energies and penetrations and hybridizations (PDF). Cartesian coordinates of all optimized systems (XYZ)., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/330489
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330489
HANDLE: http://hdl.handle.net/10261/330489
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330489
PMID: http://hdl.handle.net/10261/330489
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330489
Ver en: http://hdl.handle.net/10261/330489
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330489

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330492
Dataset. 2022

SUPPORTING INFORMATION: SYNTHESIS AND CHARACTERIZATION OF IR-(Κ2-NSI) SPECIES ACTIVE TOWARD THE SOLVENTLESS HYDROLYSIS OF HSIME(OSIME3)2

  • Gómez-España, Alejandra
  • García-Orduña, Pilar
  • Guzmán, Jefferson
  • Fernández, Israel
  • Fernández-Álvarez, Francisco J.
Additional experimental details, NMR data, and methods and Cartesian coordinates of computed structures., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/330492
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330492
HANDLE: http://hdl.handle.net/10261/330492
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330492
PMID: http://hdl.handle.net/10261/330492
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330492
Ver en: http://hdl.handle.net/10261/330492
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330492

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330505
Dataset. 2022

SUPPORTING INFORMATION FOR INTRODUCING ION MOBILITY MASS SPECTROMETRY TO IDENTIFY SITE-SELECTIVE C-H BOND ACTIVATION IN N-HETEROCYCLIC CARBENE METAL COMPLEXES

  • Mollar-Cuni, Andrés
  • Ibáñez-Ibáñez, Laura
  • Guisado‐Barrios, Gregorio
  • Mata, José A.
  • Vicent, Cristian
ESI IM-MS, additional IM mass spectra, energy-resolved CID experiments, and breakdown representations, 1H and 13C{1H} NMR spectra of compound [(NHC4)(p-cym)RuCl2], and atomic coordinates of [(NHC2)(p-cym)RuCl]+ and [(NHC2 - H)(p-cym)Ru]+., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/330505
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330505
HANDLE: http://hdl.handle.net/10261/330505
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330505
PMID: http://hdl.handle.net/10261/330505
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330505
Ver en: http://hdl.handle.net/10261/330505
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/330505

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