List of works - Indrek Kalvet

Computational Studies of Synthetically Relevant Homogeneous Organometallic Catalysis Involving Ni, Pd, Ir, and Rh: An Overview of Commonly Employed DFT Methods and Mechanistic Insights

scientific article published on 24 July 2015

Computational design of serine hydrolases

scientific article published on 13 February 2025

Direct α-alkylation of primary aliphatic amines enabled by CO and electrostatics

scientific article published on 30 July 2018

Divergent Reactivity of a Dinuclear (NHC)Nickel(I) Catalyst versus Nickel(0) Enables Chemoselective Trifluoromethylselenolation

scientific article published on 09 August 2017

Fundamental studies and development of nickel-catalyzed trifluoromethylthiolation of aryl chlorides: active catalytic species and key roles of ligand and traceless MeCN additive revealed

scientific article published on 19 March 2015

Generalized biomolecular modeling and design with RoseTTAFold All-Atom

scientific article published on 07 March 2024

Kinetic and computational studies on Pd(I) dimer-mediated halogen exchange of aryl iodides

scientific article

Lewis Acid Assisted Nickel-Catalyzed Cross-Coupling of Aryl Methyl Ethers by C−O Bond-Cleaving Alkylation: Prevention of Undesired β-Hydride Elimination

scientific article published on 08 April 2016

Mild and selective base-free C-H arylation of heteroarenes: experiment and computation

scientific article published on 5 September 2016

NMR and DFT Study of the Copper(I)-Catalyzed Cycloaddition Reaction: H/D Scrambling of Alkynes and Variable Reaction Order of the Catalyst

Nickel-catalyzed trifluoromethylthiolation of Csp2-O bonds

scientific article published on 30 October 2015

Palladium(I) Dimer Enabled Extremely Rapid and Chemoselective Alkylation of Aryl Bromides over Triflates and Chlorides in Air.

scientific article published on 16 May 2017

Rapid Room-Temperature, Chemoselective Csp2 -Csp2 Coupling of Poly(pseudo)halogenated Arenes Enabled by Palladium(I) Catalysis in Air.

scientific article published on 29 December 2016

Selective ortho-Functionalization of Adamantylarenes Enabled by Dispersion and an Air-Stable Palladium(I) Dimer

scientific article published on 17 February 2020

Synthesis of Unprotected CH2-Skipped Piperazine-Pyridine Alternating Cycles with Azide End-Group

Trifluoromethylthiolation of aryl iodides and bromides enabled by a bench-stable and easy-to-recover dinuclear palladium(i) catalyst

scientific article published on 27 April 2015

When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides

scientific article published on 31 January 2017

List of works by Indrek Kalvet