Theoretical study on the mechanism of selective fluorination of aromatic compounds with Selectfluor

The Halogen Bond in the Design of Functional Supramolecular Materials: Recent Advances

(2013) Arri Priimagi et al.   ACCOUNTS OF CHEMICAL RESEARCH

Single electron transfer between selectfluor and chloride: A mass spectrometric and theoretical study

(2013) Xiang Zhang   JOURNAL OF MOLECULAR STRUCTURE

Unusual Regioselective Electrophilic Substitutions in Quinoline Foldamers: Conceptual DFT and Frontier Molecular Orbital Analysis Reveal the Crucial Role of Folding and Substituents

(2012) Madishetti Shravani et al.   CHEMPHYSCHEM

Evidence for the “Amphoteric” Nature of Fluorine in Halogen Bonds: An Instance of Cl···F Contact

(2012) Amol G. Dikundwar et al.   CRYSTAL GROWTH & DESIGN

Beyond Frontier Molecular Orbital Theory: A Systematic Electron Transfer Model (ETM) for Polar Bimolecular Organic Reactions

(2012) Katharine J. Cahill et al.   JOURNAL OF ORGANIC CHEMISTRY

Fluorine-Centered Halogen Bonding: A Factor in Recognition Phenomena and Reactivity

(2011) Pierangelo Metrangolo et al.   CRYSTAL GROWTH & DESIGN

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

(2010) M. Valiev et al.   COMPUTER PHYSICS COMMUNICATIONS

Transannular additions of selectfluor and xenon difluoride: regioselectivity and mechanism

(2010) Yurii A. Serguchev et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Halogen bonding: an electrostatically-driven highly directional noncovalent interaction

(2010) Peter Politzer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Fluorination of Bi- and polycyclic aromatic hydrocarbons with N-fluorobis(phenylsulfonyl)amine in the absence of solvent

(2010) G. I. Borodkin et al.   RUSSIAN JOURNAL OF ORGANIC CHEMISTRY

Energy decomposition analysis of covalent bonds and intermolecular interactions

(2009) Peifeng Su et al.   JOURNAL OF CHEMICAL PHYSICS

Fluorination of aromatic compounds with N-fluorobenzenesulfonimide under solvent-free conditions

(2009) R. V. Andreev et al.   RUSSIAN JOURNAL OF ORGANIC CHEMISTRY

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH