Lista de obras - Hendrik Zipse - Dominio Público Uruguay

1,2-Chlorine atom migration in 3-chloro-2-butyl radicals: a computational study

artículo científico publicado en 2003

A compound QM/MM procedure: comparative performance on a pyruvate formate-lyase model system.

artículo científico publicado en 2010

A high-yielding, strictly regioselective prebiotic purine nucleoside formation pathway

artículo científico publicado en 2016

A third generation of radical fluorinating agents based on N-fluoro-N-arylsulfonamides

artículo científico publicado en 2018

Aminopyridine-Borane Complexes as Hydrogen Atom Donor Reagents: Reaction Mechanism and Substrate Selectivity

artículo científico publicado en 2017

Annelated pyridines as highly nucleophilic and Lewis basic catalysts for acylation reactions.

artículo científico publicado en 2013

Azo-dimethylaminopyridine-functionalized Ni(II)-porphyrin as a photoswitchable nucleophilic catalyst

scientific article published on 31 August 2020

Barbier Continuous Flow Preparation and Reactions of Carbamoyllithiums for Nucleophilic Amidation

artículo científico publicado en 2017

Base-catalyzed reactions of environmentally relevant N-chloro-piperidines. A quantum-chemical study

artículo científico publicado en 2011

Borane-Lewis Base Complexes as Homolytic Hydrogen Atom Donors

artículo científico publicado en 2010

Catalysis of aminolysis ofp-nitrophenyl acetate by 2-pyridones

Cation affinity numbers of Lewis bases

artículo científico publicado en 2012

Cation-pi interactions of bare and coordinatively saturated metal ions: contrasting structural and energetic characteristics

artículo científico publicado en 2007

Computational study of radicals derived from hydroxyurea and its methylated analogues

scientific article published on 19 December 2011

Concise Total Syntheses of Variecolortides A and B through an Unusual Hetero‐Diels–Alder Reaction ⬇️

artículo científico publicado el 29 de diciembre de 2010

Conformational Preferences in Small Peptide Models: The Relevance of cis/trans-Conformations.

artículo científico publicado en 2016

Deprotonation of enoxy radicals: theoretical validation of a 50-year-old mechanistic proposal

scientific article published on 01 April 2003

Duality of Reactivity of a Biradicaloid Compound with an o-Quinodimethane Scaffold

artículo científico publicado en 2020

Efficient Syntheses of New Super Lewis Basic Tris(dialkylamino)-Substituted Terpyridines and Comparison of Their Methyl Cation Affinities

scientific article published on 09 May 2019

Electrostatic Effects on the Stability of Peptide Radicals

scientific article published on 18 September 2018

Enhancing the catalytic activity of 4-(dialkylamino)pyridines by conformational fixation

artículo científico publicado en 2003

Estimating the stereoinductive potential of cinchona alkaloids with a prochiral probe approach

artículo científico publicado en 2008

Explicit solvent effect on cation-pi interactions: a first principle investigation.

artículo científico publicado en 2009

Fast Microsecond Dynamics of the Protein-Water Network in the Active Site of Human Carbonic Anhydrase II Studied by Solid-State NMR Spectroscopy

artículo científico publicado en 2019

Free radical 5-exo-dig cyclization as the key step in the synthesis of bis-butyrolactone natural products: experimental and theoretical studies ⬇️

artículo científico publicado el 15 de abril de 2011

Highly diastereoselective Csp3–Csp2 Negishi cross-coupling with 1,2-, 1,3- and 1,4-substituted cycloalkylzinc compounds

artículo científico publicado en 2010

Highly diastereoselective arylations of substituted piperidines

artículo científico publicado en 2011

Hydrogen Transfer in SAM‐Mediated Enzymatic Radical Reactions ⬇️

artículo científico publicado el 8 de noviembre de 2012

Initiation Chemistries in Hydrocarbon (Aut)Oxidation

artículo científico publicado en 2015

Kinetics and Mechanism of Oxirane Formation by Darzens Condensation of Ketones: Quantification of the Electrophilicities of Ketones

artículo científico publicado en 2018

Low temperature in situ Raman spectroscopy of an electro-generated arylbis(arylthio)sulfonium ion.

artículo científico publicado en 2015

Mechanistic Analysis and Characterization of Intermediates in the Phosphane-Catalyzed Oligomerization of Isocyanates

artículo científico publicado en 2018

Methyl cation affinities of commonly used organocatalysts

artículo científico publicado en 2008

Methyl cation affinity (MCA) values for phosphanes

Molecule-Induced Radical Formation (MIRF) Reactions-A Reappraisal

scientific article published on 21 February 2020

Nucleophilicities and carbon basicities of pyridines

artículo científico publicado en 2007

Nucleophilicity and Electrophilicity Parameters for Predicting Absolute Rate Constants of Highly Asynchronous 1,3-Dipolar Cycloadditions of Aryldiazomethanes

scientific article published on 16 November 2018

On the cooperativity of cation-pi and hydrogen bonding interactions

artículo científico publicado en 2008

On the modeling of arginine-bound carboxylates: a case study with Pyruvate Formate-Lyase.

artículo científico publicado en 2008

Organocatalytic activity of cinchona alkaloids: which nitrogen is more nucleophilic?

artículo científico publicado en 2009

OO bond homolysis in hydrogen peroxide

artículo científico publicado en 2017

Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts

scientific article published on 07 April 2020

Quantification and Theoretical Analysis of the Electrophilicities of Michael Acceptors

artículo científico publicado en 2017

Radical stability and its role in synthesis and catalysis

artículo científico publicado en 2010

Radical-Pair Formation in Hydrocarbon (Aut)Oxidation

scientific article published on 30 May 2019

Rearrangemements in Piperidine-Derived Nitrogen-Centered Radicals. A Quantum-Chemical Study

artículo científico publicado en 2009

Regioselective Transition-Metal-Free Allyl-Allyl Cross-Couplings

artículo científico publicado en 2016

Role of substituents in the Hofmann-Löffler-Freytag reaction. A quantum-chemical case study on nicotine synthesis

artículo científico publicado en 2021

Size-dependent rate acceleration in the silylation of secondary alcohols: the bigger the faster

Spectroscopic and theoretical approaches for studying radical reactions in class I ribonucleotide reductase

artículo científico publicado en 2005

Stacking interactions as the principal design element in acyl-transfer catalysts

scientific article published on 01 November 2006

Stereo specific platelet inhibition by the natural LXR agonist 22(R)-OH-cholesterol and its fluorescence labelling with preserved bioactivity and chiral handling in macrophages ⬇️

artículo científico publicado el 9 de mayo de 2013

Steric effects in the uncatalyzed and DMAP-catalyzed acylation of alcohols-quantifying the window of opportunity in kinetic resolution experiments

scientific article published on 01 July 2006

Structure of the nucleotide radical formed during reaction of CDP/TTP with the E441Q-alpha2beta2 of E. coli ribonucleotide reductase.

artículo científico publicado en 2009

Substituent Effects in the Silylation of Secondary Alcohols: A Mechanistic Study

artículo científico publicado en 2018

The DMAP-catalyzed acetylation of alcohols--a mechanistic study (DMAP = 4-(dimethylamino)pyridine).

artículo científico publicado en 2005

The Stability of Cα Peptide Radicals: Why Glycyl Radical Enzymes?

artículo científico publicado en 2011

The aza-Morita–Baylis–Hillman reaction of electronically and sterically deactivated substrates

scientific article published on 12 March 2012

The calculation of (29)Si NMR chemical shifts of tetracoordinated silicon compounds in the gas phase and in solution

artículo científico publicado en 2014

The influence of hydrogen bonding interactions on the C-H bond activation step in class I ribonucleotide reductases

artículo científico publicado en 2003

The performance of computational techniques in locating the charge separated intermediates in organocatalytic transformations.

artículo científico publicado en 2009

Theoretical prediction of selectivity in kinetic resolution of secondary alcohols catalyzed by chiral DMAP derivatives

artículo científico publicado en 2012

Theoretical studies of 31P NMR spectral properties of phosphanes and related compounds in solution

artículo científico publicado en 2011

Transfer hydrogenation as a redox process in nucleotides

artículo científico publicado en 2014

Unexpected non-Hoogsteen-based mutagenicity mechanism of FaPy-DNA lesions

artículo científico publicado en 2013

Unprecedented strong Lewis bases--synthesis and methyl cation affinities of dimethylamino-substituted terpyridines

artículo científico publicado en 2014

Zn-, Mg-, and Li-TMP Bases for the Successive Regioselective Metalations of the 1,5-Naphthyridine Scaffold (TMP=2,2,6,6-Tetramethylpiperidyl).

artículo científico publicado en 2017

Lista de obras de Hendrik Zipse

1,2-Chlorine atom migration in 3-chloro-2-butyl radicals: a computational study

A compound QM/MM procedure: comparative performance on a pyruvate formate-lyase model system.

A high-yielding, strictly regioselective prebiotic purine nucleoside formation pathway

A third generation of radical fluorinating agents based on N-fluoro-N-arylsulfonamides

Aminopyridine-Borane Complexes as Hydrogen Atom Donor Reagents: Reaction Mechanism and Substrate Selectivity

Annelated pyridines as highly nucleophilic and Lewis basic catalysts for acylation reactions.

Azo-dimethylaminopyridine-functionalized Ni(II)-porphyrin as a photoswitchable nucleophilic catalyst

Barbier Continuous Flow Preparation and Reactions of Carbamoyllithiums for Nucleophilic Amidation

Base-catalyzed reactions of environmentally relevant N-chloro-piperidines. A quantum-chemical study

Borane-Lewis Base Complexes as Homolytic Hydrogen Atom Donors

Catalysis of aminolysis ofp-nitrophenyl acetate by 2-pyridones

Cation affinity numbers of Lewis bases

Cation-pi interactions of bare and coordinatively saturated metal ions: contrasting structural and energetic characteristics

Computational study of radicals derived from hydroxyurea and its methylated analogues

Concise Total Syntheses of Variecolortides A and B through an Unusual Hetero‐Diels–Alder Reaction ⬇️

Conformational Preferences in Small Peptide Models: The Relevance of cis/trans-Conformations.

Deprotonation of enoxy radicals: theoretical validation of a 50-year-old mechanistic proposal

Duality of Reactivity of a Biradicaloid Compound with an o-Quinodimethane Scaffold

Efficient Syntheses of New Super Lewis Basic Tris(dialkylamino)-Substituted Terpyridines and Comparison of Their Methyl Cation Affinities

Electrostatic Effects on the Stability of Peptide Radicals

Enhancing the catalytic activity of 4-(dialkylamino)pyridines by conformational fixation

Estimating the stereoinductive potential of cinchona alkaloids with a prochiral probe approach

Explicit solvent effect on cation-pi interactions: a first principle investigation.

Fast Microsecond Dynamics of the Protein-Water Network in the Active Site of Human Carbonic Anhydrase II Studied by Solid-State NMR Spectroscopy

Free radical 5-exo-dig cyclization as the key step in the synthesis of bis-butyrolactone natural products: experimental and theoretical studies ⬇️

Highly diastereoselective Csp3–Csp2 Negishi cross-coupling with 1,2-, 1,3- and 1,4-substituted cycloalkylzinc compounds

Highly diastereoselective arylations of substituted piperidines

Hydrogen Transfer in SAM‐Mediated Enzymatic Radical Reactions ⬇️

Initiation Chemistries in Hydrocarbon (Aut)Oxidation

Kinetics and Mechanism of Oxirane Formation by Darzens Condensation of Ketones: Quantification of the Electrophilicities of Ketones

Low temperature in situ Raman spectroscopy of an electro-generated arylbis(arylthio)sulfonium ion.

Mechanistic Analysis and Characterization of Intermediates in the Phosphane-Catalyzed Oligomerization of Isocyanates

Methyl cation affinities of commonly used organocatalysts

Methyl cation affinity (MCA) values for phosphanes

Molecule-Induced Radical Formation (MIRF) Reactions-A Reappraisal

Nucleophilicities and carbon basicities of pyridines

Nucleophilicity and Electrophilicity Parameters for Predicting Absolute Rate Constants of Highly Asynchronous 1,3-Dipolar Cycloadditions of Aryldiazomethanes

On the cooperativity of cation-pi and hydrogen bonding interactions

On the modeling of arginine-bound carboxylates: a case study with Pyruvate Formate-Lyase.

Organocatalytic activity of cinchona alkaloids: which nitrogen is more nucleophilic?

OO bond homolysis in hydrogen peroxide

Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts

Quantification and Theoretical Analysis of the Electrophilicities of Michael Acceptors

Radical stability and its role in synthesis and catalysis

Radical-Pair Formation in Hydrocarbon (Aut)Oxidation

Rearrangemements in Piperidine-Derived Nitrogen-Centered Radicals. A Quantum-Chemical Study

Regioselective Transition-Metal-Free Allyl-Allyl Cross-Couplings

Role of substituents in the Hofmann-Löffler-Freytag reaction. A quantum-chemical case study on nicotine synthesis

Size-dependent rate acceleration in the silylation of secondary alcohols: the bigger the faster

Spectroscopic and theoretical approaches for studying radical reactions in class I ribonucleotide reductase

Stacking interactions as the principal design element in acyl-transfer catalysts

Stereo specific platelet inhibition by the natural LXR agonist 22(R)-OH-cholesterol and its fluorescence labelling with preserved bioactivity and chiral handling in macrophages ⬇️

Steric effects in the uncatalyzed and DMAP-catalyzed acylation of alcohols-quantifying the window of opportunity in kinetic resolution experiments

Structure of the nucleotide radical formed during reaction of CDP/TTP with the E441Q-alpha2beta2 of E. coli ribonucleotide reductase.

Substituent Effects in the Silylation of Secondary Alcohols: A Mechanistic Study

The DMAP-catalyzed acetylation of alcohols--a mechanistic study (DMAP = 4-(dimethylamino)pyridine).

The Stability of Cα Peptide Radicals: Why Glycyl Radical Enzymes?

The aza-Morita–Baylis–Hillman reaction of electronically and sterically deactivated substrates

The calculation of (29)Si NMR chemical shifts of tetracoordinated silicon compounds in the gas phase and in solution

The influence of hydrogen bonding interactions on the C-H bond activation step in class I ribonucleotide reductases

The performance of computational techniques in locating the charge separated intermediates in organocatalytic transformations.

Theoretical prediction of selectivity in kinetic resolution of secondary alcohols catalyzed by chiral DMAP derivatives

Theoretical studies of 31P NMR spectral properties of phosphanes and related compounds in solution

Transfer hydrogenation as a redox process in nucleotides

Unexpected non-Hoogsteen-based mutagenicity mechanism of FaPy-DNA lesions

Unprecedented strong Lewis bases--synthesis and methyl cation affinities of dimethylamino-substituted terpyridines

Zn-, Mg-, and Li-TMP Bases for the Successive Regioselective Metalations of the 1,5-Naphthyridine Scaffold (TMP=2,2,6,6-Tetramethylpiperidyl).