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List of works by Per-Ola Norrby

A DFT comparison of the neutral and cationic Heck pathways

scientific article published on 08 July 2011

A Predictive Tool for Electrophilic Aromatic Substitutions Using Machine Learning

scientific article published on 31 October 2018

A computational study of the enantioselective addition of n-BuLi to benzaldehyde in the presence of a chiral lithium N,P amide

scientific article published on 29 February 2012

A dynamic supramolecular system exhibiting substrate selectivity in the catalytic epoxidation of olefins.

scientific article published on 2 December 2004

A new strategy for the improvement of photophysical properties in ruthenium(II) polypyridyl complexes. Synthesis and photophysical and electrochemical characterization of six mononuclear ruthenium(II) bisterpyridine-type complexes

scientific article published in May 2005

An NMR and ab initio quantum chemical study of acid-base equilibria for conformationally constrained acidic alpha-amino acids in aqueous solution.

scientific article

An experimental and theoretical study of the mechanism of stannylcupration of alpha,beta-acetylenic ketones and esters.

scientific article published in March 2006

Anomeric Effects in Sulfamides.

scientific article

Application of Q2MM to predictions in stereoselective synthesis

scholarly article by Anthony R Rosales et al published 24 July 2018 in Chemical Communications

Breaking Conjugation: Unusual Regioselectivity with 2-Substituted Allylic Substrates in the Tsuji-Trost Reaction.

scientific article published on March 2014

Chelation-controlled addition of organozincs to α-chloro aldimines

scientific article published on 10 October 2012

Combined experimental and theoretical study of the mechanism and enantioselectivity of palladium- catalyzed intermolecular Heck coupling.

scientific article published on 12 July 2008

Competing Pathways in O-Arylations with Diaryliodonium Salts: Mechanistic Insights

scientific article published on 9 August 2017

Computational investigation of the role of fluoride in Tamao oxidations

scientific article published on 01 November 2002

Computational prediction of chemical reactions: current status and outlook.

scientific article published on 3 March 2018

Conformational Preference of 2-(Halomethyl)- and 2-(Oxymethyl)Pyridines: Microwave Spectrum, Ab Initio, and MM3 Studies of 2-(Fluoromethyl)Pyridine

scientific article published in May 1996

Conformational Preferences of a Tropos Biphenyl Phosphinooxazoline–a Ligand with Wide Substrate Scope

Copper-catalyzed cross-couplings with part-per-million catalyst loadings.

scientific article published in January 2009

DFT investigation of the palladium-catalyzed ene-yne coupling.

scientific article

Deconvoluting the memory effect in Pd-catalyzed allylic alkylation: Effect of leaving group and added chloride.

scientific article published in July 2006

Degradation caused by incompatibility between sodium stearyl fumarate (PRUV) and AZD7986 in the drug product

scientific article published on 22 May 2018

Design and synthesis of a new type of ferrocene-based planar chiral DMAP analogues. A new catalyst system for asymmetric nucleophilic catalysis.

scientific article published on October 2005

Designing flexible low-viscous sieving media for capillary electrophoresis analysis of ribonucleic acids

scientific article published on 25 May 2018

Development of a Q2MM Force Field for the Asymmetric Rhodium Catalyzed Hydrogenation of Enamides

scientific article published on August 2008

Direct determination of absolute configuration of methyl-substituted phenyloxiranes: combined experimental and theoretical approach

scientific article published in July 2006

Dispersion and back-donation gives tetracoordinate [Pd(PPh3)4]

scientific article published on 13 October 2011

Divergence en route to nonclassical annonaceous acetogenins. Synthesis of pyranicin and pyragonicin.

scientific article published in March 2006

Enantioconvergent synthesis by sequential asymmetric Horner-Wadsworth-Emmons and palladium-catalyzed allylic substitution reactions

scientific article published on 01 October 2001

Epoxyalcohols: bioactivation and conjugation required for skin sensitization

scientific article published on 22 September 2014

Experimental and quantum-mechanical investigation of the vinylsilane-iminium ion cyclization.

scientific article published in March 2003

Experimental and theoretical investigations of the autoxidation of geranial: a dioxolane hydroperoxide identified as a skin sensitizer

scientific article published on 26 August 2011

Fast and reversible insertion of carbon dioxide into zirconocene-alkoxide bonds. A mechanistic study.

scientific article published in June 2014

General Transition-State Force Field for Cytochrome P450 Hydroxylation

scientific article published on 01 September 2007

Heck coupling with nonactivated alkenyl tosylates and phosphates: examples of effective 1,2-migrations of the alkenyl palladium(II) intermediates

scientific article published on 01 May 2006

Improving the Q2MM method for transition state force field modeling

scientific article published on 27 November 2014

Interrogation of a dynamic multi-catalyst ensemble in asymmetric catalysis

Investigating the nature of palladium chain-walking in the enantioselective redox-relay Heck reaction of alkenyl alcohols

scientific article

Investigation of the metal binding site in methionine aminopeptidase by density functional theory.

scientific article published in March 2002

Iron-catalyzed coupling of aryl Grignard reagents with alkyl halides: a competitive Hammett study

scientific article published on 16 September 2011

Is Excited-State Aromaticity a Driving Force for Planarization of Dibenzannelated 8π-Electron Heterocycles?

scientific article published on 25 April 2019

Kinetic Investigation of a Ligand-Accelerated Sub-mol % Copper-Catalyzed CN Cross-Coupling Reaction

scholarly article by Per-Fredrik Larsson et al published 9 November 2010 in Chemistry—A European Journal

Me2Zn-mediated addition of acetylenes to aldehydes and ketones

scientific article published in July 2005

Mechanism of Air Oxidation of the Fragrance Terpene Geraniol

scientific article published on 01 January 2008

Mechanism, reactivity, and selectivity in palladium-catalyzed redox-relay Heck arylations of alkenyl alcohols

scientific article published on 22 January 2014

Mechanisms of air oxidation of ethoxylated surfactants--computational estimations of energies and reaction behaviors

scientific article published on 01 January 2008

Mechanistic Insights into the Iridium-Catalyzed Hydrogenations of α,β-Unsaturated Ketones

scholarly article by Julien Engel et al published 31 August 2016 in ChemCatChem

Mechanistic Studies of Copper-Catalyzed Alkene Aziridination

scholarly article by Peter Brandt et al published August 2000 in Journal of the American Chemical Society

Memory and dynamics in Pd-catalyzed allylic alkylation with P,N-ligands

article

Microsecond Timescale Simulations at the Transition State of PmHMGR Predict Remote Allosteric Residues

Mild and efficient nickel-catalyzed Heck reactions with electron-rich olefins

scientific article published on 22 December 2011

Modeling the stereoselectivity of the beta-amino alcohol-promoted addition of dialkylzinc to aldehydes.

scientific article published on April 2003

Modulation of the reactivity, stability and substrate- and enantioselectivity of an epoxidation catalyst by noncovalent dynamic attachment of a receptor functionality--aspects on the mechanism of the Jacobsen-Katsuki epoxidation applied to a supramo

scientific article published on 19 April 2006

Molecular modeling of bifunctional chelate peptide conjugates. 1. Copper and indium parameters for the AMBER force field.

scientific article

New Insights into the Stereoselectivity of the Aryl Zinc Addition to Aldehydes

article

New insights into the mechanism of iron-catalyzed cross-coupling reactions

scientific article published on 01 March 2015

Ni-Catalyzed Alkenylation of Ketone Enolates under Mild Conditions: Catalyst Identification and Optimization

scientific article published on 29 May 2015

Nonclassical Mechanism in the Cyclodehydration of Diols Catalyzed by a Bifunctional Iridium Complex

scientific article published on 23 January 2019

Nonradical zinc-Barbier reaction for diastereoselective synthesis of vicinal amino alcohols

scientific article published in November 2005

On the Performance of Continuum Solvation Models for the Solvation Energy of Small Anions

scientific article

On the mechanism of the copper-catalyzed cyclopropanation reaction

scientific article published on 01 January 2002

On the nature of the intermediates and the role of chloride ions in Pd-catalyzed allylic alkylations: added insight from density functional theory.

scientific article published in December 2008

On the radical nature of iron-catalyzed cross-coupling reactions

scientific article published on 20 February 2015

On the use of real-world datasets for reaction yield prediction

scientific article published in 2023

Oxidative Addition of Aryl Chlorides to Monoligated Palladium(0): A DFT-SCRF Study

scientific article

Palladium Catalyzed Stereoselective Arylation of Biocatalytically Derived Cyclic 1,3-Dienes: Chirality Transfer via a Heck-Type Mechanism

scientific article published on 09 March 2020

Palladium(0) alkyne complexes as active species: a DFT investigation

scientific article published on 20 July 2005

Palladium-catalyzed alkenylation of ketone enolates under mild conditions

scientific article published on 17 July 2014

Palladium-catalyzed allylic sulfinylation and the Mislow-Braverman-Evans rearrangement

scientific article published on 17 November 2011

Pd- η3 -C6H9 complexes of the Trost modular ligand: high nuclearity columnar aggregation controlled by concentration, solvent and counterion.

scientific article published on 15 July 2015

Phenyl versus ethyl transfer in the addition of organozinc reagents to aldehydes: a theoretical study

scientific article

Prediction of Stereochemistry using Q2MM.

scientific article

Prediction of enantioselectivity in rhodium catalyzed hydrogenations

scientific article

Probing competitive enantioselective approach vectors operating in the Jacobsen-Katsuki epoxidation: a kinetic study of methyl-substituted styrenes.

scientific article

Pyranoside Phosphite–Oxazoline Ligands for the Highly Versatile and Enantioselective Ir-Catalyzed Hydrogenation of Minimally Functionalized Olefins. A Combined Theoretical and Experimental Study

scientific article published on 04 August 2011

Quantum chemical calculations on the Peterson olefination with alpha-silyl ester enolates

scientific article published on 01 October 2002

Regioselectivity in lithiation of 1-methylpyrazole: experimental, density functional theory and multinuclear NMR study

scientific article published on 03 February 2006

Relative Strength of Common Directing Groups in Palladium-Catalyzed Aromatic C-H Activation

scientific article published on 27 September 2019

Role of the base in Buchwald-Hartwig amination

scientific article published on 04 November 2014

S-adenosylmethionine conformations in solution and in protein complexes: conformational influences of the sulfonium group.

scientific article

Single-Flask Multicomponent Palladium-Catalyzed α,γ-Coupling of Ketone Enolates: Facile Preparation of Complex Carbon Scaffolds.

scientific article published on 14 August 2015

Stereoselectivity in (Acyloxy)borane-Catalyzed Mukaiyama Aldol Reactions

scientific article published on 13 June 2016

Stereoselectivity in Asymmetric Catalysis: The Case of Ruthenium-Catalyzed Ketone Hydrogenation

scientific article published in June 2014

Steric influence on the excited-state lifetimes of ruthenium complexes with bipyridyl-alkanylene-pyridyl ligands

scientific article published on 11 April 2008

Structure investigation of TiIV-BODOLates involved in the catalytic asymmetric reduction of ketones using catecholborane.

scientific article published in January 2004

Structure-based rationale for selectivity in the asymmetric allylic alkylation of cycloalkenyl esters employing the Trost 'Standard Ligand' (TSL): isolation, analysis and alkylation of the monomeric form of the cationic eta(3)-cyclohexenyl complex [

scientific article published on July 2009

Surprisingly mild "enolate-counterion-free"pd(0)-catalyzed intramolecular allylic alkylations

scientific article published on 01 March 2005

The mechanism for the rhodium-catalyzed decarbonylation of aldehydes: a combined experimental and theoretical study

scientific article

The mechanism of the phosphine-free palladium-catalyzed hydroarylation of alkynes

scientific article published on 01 October 2006

Theoretical Evidence for Low-Ligated Palladium(0):  [Pd−L] as the Active Species in Oxidative Addition Reactions

scientific article

Theoretical and Experimental Optimization of a New Amino Phosphite Ligand Library for Asymmetric Palladium-Catalyzed Allylic Substitution

Timing Is Critical: Effect of Spin Changes on the Diastereoselectivity in Mn(salen)-Catalyzed Epoxidation

scientific article published in 1999

Transition State Force Field for the Asymmetric Redox Relay Heck Reaction

scientific article published on 05 April 2020

Transition-State Docking of Flunitrazepam and Progesterone in Cytochrome P450.

scientific article

Unprecedented migration of N-alkoxycarbonyl groups in protected pyroglutaminol

scientific article published on 01 February 2001

Updating the asymmetric osmium-catalyzed dihydroxylation (AD) mnemonic: Q2MM modeling and new kinetic measurements

scientific article published on 01 May 2003

tBu or not tBu?

scientific article published on 5 January 2012

α-Arylation by Rearrangement: On the Reaction of Enolates with Diaryliodonium Salts

scientific article published on 01 July 2010

γ- and δ-Lactams through Palladium-Catalyzed Intramolecular Allylic Alkylation: Enantioselective Synthesis, NMR Investigation, and DFT Rationalization

scientific article published on 03 February 2011

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