Skip navigation
ioChem-BD Browse
Browse
Communities
& Collections
Browse Items by:
Issue Date
Author
Title
Subject
Sign on to:
Create module
Browse module
Receive email
updates
Edit Profile
Search on Browse module
Search
Institute of Chemical Research of Catalonia
Search
Search:
All of Browse
Maseras Research Group
ACS_Catalysis_10_1021_acscatal_0c02514
A Domino Process towards Functionally Dense Quaternary Carbons through Pd-Catalyzed Decarboxylative Csp3-Csp3 Bond Formation
Allene Functionalization
Calculation of reaction Free Energies in Solution: A comparison of Current Approaches
Catalytic Nitrene Transfer To Alkynes: A Novel and Versatile Route for the Synthesis of Sulfinamides and iso-Thiazoles
C-H_activation_and_isomerization_
Charge-controlled activation of arenes
Computational Characterization of the Mechanism for the Oxidative Coupling of Benzoic Acid and Alkynes by Rhodium/Copper and Rhodium/Silver Systems
Computationally-guided design of a readily assembled phosphite-thioether ligand for a broad range of Pd-catalyzed asymmetric allylic substitutions
Computational study on the mechanism of the reaction of carbondioxide with siloxy silanes
Cooperative_Asymmetric_Propargylation
Copper catalyzed borylative ring closing C-C coupling toward spiro- and dispiroheterocycles
Copper-Mediated Reduction of Azides under Seemingly Oxidising Conditions: Catalytic and Computational Studies
Copper_organic_electrosynthesis
CoppySCF3
Cu-ADAP_Indole
Cyclobutene vs. 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture
descriptors/neutral_molecules
descriptors/radical_molecules
DFT characterization of the mechanism for Staudinger/Aza-Wittig tandem organocatalysis
Diastereodivergent_Enantioselective_8+2_Annulation
Elucidating the Mechanism of Aryl Aminations Mediated by NHC- Supported Nickel Complexes: Evidence for a Non-radical Ni(0)/Ni(II) Pathway
Enantioselective Synthesis of 3-Heterosubstituted-2-amino-1-olsby Sequential Metal-free Diene Aziridination/Kinetic Resolution
Enantioselective Synthesis of Aminodiols by Sequential Rh-Catalysed Oxyamination/Kinetic Resolution. Expanding the Substrate Scope of Amidine-Based Catalysis
GARLEEK: Adding an Extra Flavor to ONIOM
H2O_splitting_Cu_catalyzed
Halide Abstraction Competes with Oxidative Addition in the Reactions of Aryl Halides with [Ni(PMe
n
Ph
(3-n)
)
4
]
Insertion_of_O2_to_a_PtII-Me_bond
Introducing the Catalytic Amination of Silanes via Nitrene Insertion
Measuring the relative reactivity of the carbon-hydrogen bonds of alkanes as nucleophiles
Mechanistic Studies on the Gold-Catalyzed Direct Arene C-H Bond Functionalization by Carbene Insertion: the Coinage Metal Effect
Mechanistic study of Cu Catalyzed Propargylic Substitution
Mechanistic study on the asymmetric synthesis of the Wieland-Miescher ketone and analogs
Michael_addition_vs_Diels_Alder
MT-to-WO_Cu-cat
n1-H2_HiddenDescriptors
New_Vistas_in_Transmetalation_with_Discrete_AgCF3_Species
N_F_bond_activation
NHC_HiddenDescriptors
Ni_alkyl_ligands
Ni_dppf_alkyl
Ni_dppf_alkyl_solv_opt
Ni-Photocatalyst_Indoline_Synthesis
O2activationFe2017
O2_insert
O2_insert
Octaimine_Supramolecular_Nanocages
OxidativeAddition
Palladium-Catalyzed Aerobic Homocoupling of Alkynes: Full Mechanistic Characterization of a More Complex Oxidase-type Behavior
Pd_NHC_CH_act
Pd_NHC_CH_act_Conf_Oct2023
Pd_NHC_C-H_Activation
profileS
Redefining the Mechanistic Scenario of Carbon–Sulfur Nucleophilic Coupling via High-Valent Cp*Co(IV) Species
Reduction Rate of 1-Phenylphospholane 1-Oxide Enhanced by Silanol Byproducts: Comprehensive DFT study and Kinetic Modeling Linked to Reagent Design
Reductive_Cross-Coupling_Enabled_by_a_Ni0-Ni1_Cycle
Rh-Carbynoid
Ring-closing metathesis
Ru_homocoupling_iochemAccelerated Ru‐Cu trinuclear cooperative C‐H bond functionalization of carbazoles: a kinetic and computational investigation
Ru-polymer-surface
SCN-Fetpena
Searching for Hidden Descriptors in the Metal−Ligand Bond through Statistical Analysis of Density Functional Theory (DFT) Results
Single Electron Transfer Steps in Water Oxidation Catalysis. Redefining the Mechanistic Scenario
sn2app_HiddenDescriptors
sn2_HiddenDescriptors
sp_def2_tzvp
sp_def2_tzvp
Stereoselective and Versatile Preparation of Tri- and Tetra- Substituted Allylic Amine Scaffolds under Mild Conditions
Steric effects determine the mechanisms of reactions between bis(N-heterocyclic carbene)-nickel(0) complexes and aryl halides
The Acetate Proton Shuttle between Mutually Trans Ligands
The Challenge of Reproducing with Calculations Raw Experimental Kinetic Data for an Organic Reaction
The non-innocent role of the halide ligand in the copper-catalyzed olefin aziridination reaction
TpBr3Cu_NTs_enyenes
Triad-ate-type-complexes
Trichloromethylation_of_acylpyridines
Two Copper-Carbenes from One Diazo Compound
Understanding_ball_milling_mechanochemical_processes_
VOSO4_Photocatalysis
for
Current filters:
Title
Author
Subject
Date Issued
Calculation type
Program name
Method
Basis
Formula
Equals
Contains
ID
Not Equals
Not Contains
Not ID
Title
Author
Subject
Date Issued
Calculation type
Program name
Method
Basis
Formula
Equals
Contains
ID
Not Equals
Not Contains
Not ID
Title
Author
Subject
Date Issued
Calculation type
Program name
Method
Basis
Formula
Equals
Contains
ID
Not Equals
Not Contains
Not ID
Title
Author
Subject
Date Issued
Calculation type
Program name
Method
Basis
Formula
Equals
Contains
ID
Not Equals
Not Contains
Not ID
Start a new search
Add filters:
Use filters to refine the search results.
Title
Author
Subject
Date Issued
Calculation type
Program name
Method
Basis
Formula
Equals
Contains
ID
Not Equals
Not Contains
Not ID
Search produced no results.