Asymmetric nucleophilic fluorination under hydrogen bonding phase-transfer catalysis

Molecular Recognition in Asymmetric Counteranion Catalysis: Understanding Chiral Phosphate-Mediated Desymmetrization

(2017) Fernanda Duarte et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Lewis acid enhancement by hydrogen-bond donors for asymmetric catalysis

(2017) Steven M. Banik et al.   SCIENCE

Hydrogen-bond promoted nucleophilic fluorination: concept, mechanism and applications in positron emission tomography

(2016) Ji-Woong Lee et al.   CHEMICAL SOCIETY REVIEWS

Theoretical Design and Calculation of a Crown Ether Phase-Transfer-Catalyst Scaffold for Nucleophilic Fluorination Merging Two Catalytic Concepts

(2016) Nathália F. Carvalho et al.   JOURNAL OF ORGANIC CHEMISTRY

Hydrogen-Bonded Homoleptic Fluoride–Diarylurea Complexes: Structure, Reactivity, and Coordinating Power

(2016) Lukas Pfeifer et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Direct halogenation of alcohols with halosilanes under catalyst- and organic solvent-free reaction conditions

(2016) Njomza Ajvazi et al.   TETRAHEDRON LETTERS

Crown ether metal complex fluoride salt as a facile and low hygroscopic fluoride source for nucleophilic fluorination

(2015) Vinod H. Jadhav et al.   CHEMICAL ENGINEERING JOURNAL

Highly Selective Pd-Catalyzed Intermolecular Fluorosulfonylation of Styrenes

(2015) Zheliang Yuan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Development of new auxiliary basis functions of the Karlsruhe segmented contracted basis sets including diffuse basis functions (def2-SVPD, def2-TZVPPD, and def2-QVPPD) for RI-MP2 and RI-CC calculations

(2015) Arnim Hellweg et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Urea derivatives based on a 1,1′-binaphthalene skeleton as chiral solvating agents for sulfoxides

(2015) Roman Holakovský et al.   TETRAHEDRON-ASYMMETRY

Coordination diversity in hydrogen-bonded homoleptic fluoride–alcohol complexes modulates reactivity

(2015) Keary M. Engle et al.   Chemical Science

Can acyclic conformational control be achieved via a sulfur–fluorine gauche effect?

(2015) C. Thiehoff et al.   Chemical Science

Advances in Catalytic Enantioselective Fluorination, Mono-, Di-, and Trifluoromethylation, and Trifluoromethylthiolation Reactions

(2014) Xiaoyu Yang et al.   CHEMICAL REVIEWS

Enzymatic Fluorination and Biotechnological Developments of the Fluorinase

(2014) David O’Hagan et al.   CHEMICAL REVIEWS

Force field development for organic molecules: Modifying dihedral and 1-npair interaction parameters

(2014) Siyan Chen et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Iodoarene-catalyzed fluorination and aminofluorination by an Ar-I/HF·pyridine/mCPBA system

(2014) Satoru Suzuki et al.   Chemical Science

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Mild and Selective Organocatalytic Iodination of Activated Aromatic Compounds

(2013) Peter Schreiner et al.   SYNTHESIS-STUTTGART

Asymmetric Ion-Pairing Catalysis

(2012) Katrien Brak et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

GROMACS molecule & liquid database

(2012) D. van der Spoel et al.   BIOINFORMATICS

Supramolecular Binding Thermodynamics by Dispersion-Corrected Density Functional Theory

(2012) Stefan Grimme   CHEMISTRY-A EUROPEAN JOURNAL

Long-Range Corrected Hybrid Density Functionals with Improved Dispersion Corrections

(2012) You-Sheng Lin et al.   Journal of Chemical Theory and Computation

New insights on reaction pathway selectivity promoted by crown ether phase-transfer catalysis: Model ab initio calculations of nucleophilic fluorination

(2012) Josefredo R. Pliego et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

Lewis Base Catalysis by Thiourea: N-Bromosuccinimide-Mediated Oxidation of Alcohols

(2012) Chandra Bhushan Tripathi et al.   JOURNAL OF ORGANIC CHEMISTRY

Asymmetric Formal Carbonyl-Ene Reactions of Formaldehyde tert-Butyl Hydrazone with α-Keto Esters: Dual Activation by Bis-urea Catalysts

(2012) Ana Crespo-Peña et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The progression of chiral anions from concepts to applications in asymmetric catalysis

(2012) Robert J. Phipps et al.   Nature Chemistry

Thiourea-catalysed ring opening of episulfonium ions with indole derivatives by means of stabilizing non-covalent interactions

(2012) Song Lin et al.   Nature Chemistry

NCIPLOT: A Program for Plotting Noncovalent Interaction Regions

(2011) Julia Contreras-García et al.   Journal of Chemical Theory and Computation

Highly Sensitive Fluorescence “Turn-On” Indicator for Fluoride Anion with Remarkable Selectivity in Organic and Aqueous Media

(2011) Punidha Sokkalingam et al.   JOURNAL OF ORGANIC CHEMISTRY

Palladium-Catalyzed Regio- and Enantioselective Fluorination of Acyclic Allylic Halides

(2011) Matthew H. Katcher et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanistic Investigations of Cooperative Catalysis in the Enantioselective Fluorination of Epoxides

(2011) Julia A. Kalow et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Enantioselective Acylation of Silyl Ketene Acetals through Fluoride Anion-Binding Catalysis

(2011) James A. Birrell et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Highly Diastereo- and Enantioselective Aldol Reaction of Methyl α-Isocyanoacetate: A Cooperative Catalysis Approach

(2011) Hun Young Kim et al.   ORGANIC LETTERS

Asymmetric Electrophilic Fluorination Using an Anionic Chiral Phase-Transfer Catalyst

(2011) V. Rauniyar et al.   SCIENCE

The ORCA program system

(2011) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

CRYSTALSenhancements: dealing with hydrogen atoms in refinement

(2010) Richard I. Cooper et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Property-optimized Gaussian basis sets for molecular response calculations

(2010) Dmitrij Rappoport et al.   JOURNAL OF CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Palladium-Catalyzed Asymmetric Synthesis of Allylic Fluorides

(2010) Matthew H. Katcher et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Enantioselective Ring Opening of Epoxides by Fluoride Anion Promoted by a Cooperative Dual-Catalyst System

(2010) Julia A. Kalow et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Revealing Noncovalent Interactions

(2010) Erin R. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Minimally augmented Karlsruhe basis sets

(2010) Jingjing Zheng et al.   THEORETICAL CHEMISTRY ACCOUNTS

Chiral bifunctional phase transfer catalysts for asymmetric fluorination of β-keto esters

(2009) Xisheng Wang et al.   CHEMICAL COMMUNICATIONS

Synthesis and Reactivity of Enantiomerically Enriched Thiiranium Ions

(2009) Scott E. Denmark et al.   CHEMISTRY-A EUROPEAN JOURNAL

Allenes in Asymmetric Catalysis: Asymmetric Ring Opening ofmeso-Epoxides Catalyzed by Allene-Containing Phosphine Oxides

(2009) Xiaotao Pu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Determination of absolute structure using Bayesian statistics on Bijvoet differences

(2008) Rob W. W. Hooft et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Asymmetric Morita-Baylis-Hillman Reaction of Arylaldehydes with 2-Cyclohexen-1-one Catalyzed by Chiral Bis(Thio)urea and DABCO

(2008) Min Shi et al.   ORGANIC LETTERS

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Fluorine in medicinal chemistry

(2007) Sophie Purser et al.   CHEMICAL SOCIETY REVIEWS