Competition between hydrogen and halogen bonding in halogenated 1-methyluracil: Water systems

Comparison of hydrogen bonds, halogen bonds, C H⋯π interactions, and C X⋯π interactions using high-level ab initio methods

(2015) Kevin E. Riley et al.   CHEMICAL PHYSICS LETTERS

Does Fluorine Participate in Halogen Bonding?

(2015) Kiamars Eskandari et al.   CHEMISTRY-A EUROPEAN JOURNAL

Organic fluorines as halogen bond donors: Theoretical study and crystallographic evidence

(2015) Yanhua Wang et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Fluorines in tetrafluoromethane as halogen bond donors: Revisiting address the nature of the fluorine'sσhole

(2015) Arpita Varadwaj et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

The competition of Y⋯o and X⋯n halogen bonds to enhance the group V σ-hole interaction in the NCY⋯oPH3⋯NCX and OPH3⋯NCX⋯NCY (X, YF, Cl, and Br) complexes

(2015) Wei Li et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Tuning the Halogen/Hydrogen Bond Competition: A Spectroscopic and Conceptual DFT Study of Some Model Complexes Involving CHF2I

(2014) Nick Nagels et al.   CHEMISTRY-A EUROPEAN JOURNAL

Competition between halogen bond and hydrogen bond in complexes of superalkali Li3S and halogenated acetylene XCCH (X = F, Cl, Br, and I)

(2014) WenKai Tian et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Competition of C(sp2)–X···O Halogen Bonding and Lone Pair···π Interactions: Cryospectroscopic Study of the Complexes of C2F3X (X = F, Cl, Br, and I) and Dimethyl Ether

(2014) Yannick Geboes et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Force Field Model of Periodic Trends in Biomolecular Halogen Bonds

(2014) Matthew R. Scholfield et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Theoretical Insights into the Nature of Halogen Bonding in Prereactive Complexes

(2013) J. Grant Hill et al.   CHEMISTRY-A EUROPEAN JOURNAL

Definition of the halogen bond (IUPAC Recommendations 2013)

(2013) Gautam R. Desiraju et al.   PURE AND APPLIED CHEMISTRY

Stacking of the mutagenic DNA base analog 5-bromouracil

(2013) Leo F. Holroyd et al.   THEORETICAL CHEMISTRY ACCOUNTS

Principles and Applications of Halogen Bonding in Medicinal Chemistry and Chemical Biology

(2012) Rainer Wilcken et al.   JOURNAL OF MEDICINAL CHEMISTRY

Halogen Bonding in DNA Base Pairs

(2012) Anna J. Parker et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

The fluorine atom as a halogen bond donor, viz. a positive site

(2011) Pierangelo Metrangolo et al.   CRYSTENGCOMM

Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodine

(2011) Kevin E. Riley et al.   JOURNAL OF MOLECULAR MODELING

Directional tendencies of halogen and hydrogen bonds

(2010) Zenaida P. Shields et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

The halogen bond: an interim perspective

(2010) Anthony C. Legon   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nonbonding interactions of organic halogens in biological systems: implications for drug discovery and biomolecular design

(2010) Yunxiang Lu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

On the Mechanism of the Mutagenic Action of 5-Bromouracil: A DFT Study of Uracil and 5-Bromouracil in a Water Cluster

(2009) Victor I. Danilov et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A DFT study of uracil and 5-bromouracil in nanodroplets

(2009) Tanja van Mourik et al.   THEORETICAL CHEMISTRY ACCOUNTS