标题
Intramolecular halogen bonding: an interacting quantum atoms study
作者
关键词
Halogen bonds, Quantum theory of atoms in molecules (QTAIM), Interacting quantum atoms (IQA), Electrostatic interaction, Covalency, Bond critical points
出版物
THEORETICAL CHEMISTRY ACCOUNTS
Volume 135, Issue 2, Pages -
出版商
Springer Nature
发表日期
2016-02-04
DOI
10.1007/s00214-015-1796-2
参考文献
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- (2015) Ruben D. Parra CHEMICAL PHYSICS LETTERS
- Intramolecular Halogen Bonding in Solution:15N,13C, and19F NMR Studies of Temperature and Solvent Effects
- (2015) Rachel A. Thorson et al. EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
- Quantifying electro/nucleophilicity by partitioning the dual descriptor
- (2015) Vincent Tognetti et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Entasis through Hook-and-Loop Fastening in a Glycoligand with Cumulative Weak Forces Stabilizing CuI
- (2015) Ludivine Garcia et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Atomic decomposition of Kohn–Sham molecular energies: the kinetic energy component
- (2015) Leonid Patrikeev et al. MOLECULAR PHYSICS
- Alkyllithium Mixed Aggregates: Dynamic Behavior and Comprehensive Analysis of NMR 2J7Li–7Li Spin–Spin Coupling
- (2015) Ghanem Hamdoun et al. ORGANOMETALLICS
- Do resonance-assisted intramolecular halogen bonds exist without a charge transfer and a σ-hole?
- (2015) B. Vijaya Pandiyan et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Intramolecular halogen bonds in 1,2-aryldiyne molecules: a theoretical study
- (2015) Yuchen Zhang et al. STRUCTURAL CHEMISTRY
- Synthesis of SF5-substituted isoxazolidines using 1,3-dipolar cycloaddition reactions of nitrones with pentafluorosulfanyl acrylic esters and amides
- (2015) Ewelina Falkowska et al. TETRAHEDRON
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- (2015) Vincent Tognetti et al. THEORETICAL CHEMISTRY ACCOUNTS
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- (2015) Qingjie Tang et al. Computational and Theoretical Chemistry
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- (2015) Meziane Yahia-Ouahmed et al. Computational and Theoretical Chemistry
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- (2015) Ewelina Falkowska et al. RSC Advances
- Intramolecular Halogen Bonding Supported by an Aryldiyne Linker
- (2014) Danielle L. Widner et al. JOURNAL OF ORGANIC CHEMISTRY
- Metal-Free Decarboxylative Hetero-Diels–Alder Synthesis of 3-Hydroxypyridines: A Rapid Access to N-Fused Bicyclic Hydroxypiperidine Scaffolds
- (2014) Laurie-Anne Jouanno et al. JOURNAL OF ORGANIC CHEMISTRY
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- (2014) Vincent Tognetti et al. JOURNAL OF PHYSICAL CHEMISTRY A
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- (2014) Olga A. Syzgantseva et al. JOURNAL OF PHYSICAL CHEMISTRY A
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- (2014) Rodrigo A. Cormanich et al. JOURNAL OF PHYSICAL CHEMISTRY A
- A new turn in codon–anticodon selection through halogen bonds
- (2014) Rajadurai Vijay Solomon et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Density functional theory and Bader's atoms-in-molecules theory: towards a vivid dialogue
- (2014) Vincent Tognetti et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Dual descriptor and molecular electrostatic potential: complementary tools for the study of the coordination chemistry of ambiphilic ligands
- (2014) Frédéric Guégan et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Hydrogen bonding, halogen bonding and lithium bonding: an atoms in molecules and natural bond orbital perspective towards conservation of total bond order, inter- and intra-molecular bonding
- (2014) Abhishek Shahi et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- The Halogen Bond in the Design of Functional Supramolecular Materials: Recent Advances
- (2013) Arri Priimagi et al. ACCOUNTS OF CHEMICAL RESEARCH
- Organocatalysis by Neutral Multidentate Halogen-Bond Donors
- (2013) Florian Kniep et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Halogen–halogen interaction in view of many-body approach
- (2013) Justyna Dominikowska et al. CHEMICAL PHYSICS LETTERS
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- (2013) Vincent Tognetti et al. CHEMICAL PHYSICS LETTERS
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- (2013) Vincent Tognetti et al. JOURNAL OF CHEMICAL PHYSICS
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- (2013) Joseph R. Lane et al. Journal of Chemical Theory and Computation
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- (2013) Peter Politzer et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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- (2013) Gautam R. Desiraju et al. PURE AND APPLIED CHEMISTRY
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- (2012) Natacha Gillet et al. Journal of Chemical Theory and Computation
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- (2012) Susanna L. Stephens et al. JOURNAL OF MOLECULAR SPECTROSCOPY
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- (2012) Mirosl̷aw Jabłoński JOURNAL OF PHYSICAL CHEMISTRY A
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- (2012) Matthew R. Scholfield et al. PROTEIN SCIENCE
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- (2012) H. J. Jahromi et al. STRUCTURAL CHEMISTRY
- Halogen bond, hydrogen bond and N⋯C interaction – On interrelation among these three noncovalent interactions
- (2012) Małgorzata Domagała et al. Computational and Theoretical Chemistry
- Perspectives on halogen bonding and other σ-hole interactions: Lex parsimoniae (Occam’s Razor)
- (2012) Peter Politzer et al. Computational and Theoretical Chemistry
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- (2011) Andreas Vargas Jentzsch et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Halogen bonding in halocarbon–protein complexes: a structural survey
- (2011) Emilio Parisini et al. CHEMICAL SOCIETY REVIEWS
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- (2011) David Cappelletti et al. CRYSTAL GROWTH & DESIGN
- Strength and Character of Halogen Bonds in Protein–Ligand Complexes
- (2011) Kevin E. Riley et al. CRYSTAL GROWTH & DESIGN
- Anion Receptors Composed of Hydrogen- and Halogen-Bond Donor Groups: Modulating Selectivity With Combinations of Distinct Noncovalent Interactions
- (2011) Michael G. Chudzinski et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Molecular geometries of H2S⋯ICF3 and H2O⋯ICF3 characterised by broadband rotational spectroscopy
- (2011) Susanna L. Stephens et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions
- (2010) Leo A. Hardegger et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Comparative insight into the halogen bonding of 4-chloropyridine and its metal [CuI,ZnII] coordinations with halide ions: A theoretical study on M–C–X⋯X′
- (2010) Lin Xu et al. CHEMICAL PHYSICS
- Communications: Making density functional theory and the quantum theory of atoms in molecules converse: A local approach
- (2010) Vincent Tognetti et al. JOURNAL OF CHEMICAL PHYSICS
- On the nature of halogen bond – The Kohn–Sham molecular orbital approach
- (2010) Marcin Palusiak JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
- Revealing Noncovalent Interactions
- (2010) Erin R. Johnson et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- 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
- Halogen bonding: an electrostatically-driven highly directional noncovalent interaction
- (2010) Peter Politzer et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- CX⋅⋅⋅O Halogen Bonding: Interactions of Trifluoromethyl Halides with Dimethyl Ether
- (2009) Dieter Hauchecorne et al. CHEMPHYSCHEM
- Halogen bonding: Recent advances
- (2009) Marc Fourmigué CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE
- Oscillations in meta-generalized-gradient approximation potential energy surfaces for dispersion-bound complexes
- (2009) Erin R. Johnson et al. JOURNAL OF CHEMICAL PHYSICS
- Halogen BondingA Novel Interaction for Rational Drug Design?
- (2009) Yunxiang Lu et al. JOURNAL OF MEDICINAL CHEMISTRY
- Toward a Combined DFT/QTAIM Description of Agostic Bonds: The Critical Case of a Nb(III) Complex
- (2009) Vincent Tognetti et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Nonlocal van der Waals Density Functional Made Simple
- (2009) Oleg A. Vydrov et al. PHYSICAL REVIEW LETTERS
- Single-Crystal-to-Single-Crystal Topochemical Polymerizations by Design
- (2008) Joseph W. Lauher et al. ACCOUNTS OF CHEMICAL RESEARCH
- Halogen Bonding in Supramolecular Chemistry
- (2008) Pierangelo Metrangolo et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Revealing molecular self-assembly and geometry of non-covalent halogen bonding by solid-state NMR spectroscopy
- (2008) Markus Weingarth et al. CHEMICAL COMMUNICATIONS
- Chemical Bonding in the Inclusion Complex of He in Adamantane (He@adam): The Origin of the Barrier to Dissociation
- (2008) Tatyana Strenalyuk et al. CHEMISTRY-A EUROPEAN JOURNAL
- The Implications of Symmetry of the External Potential on Bond Paths
- (2008) Erick Cerpa et al. CHEMISTRY-A EUROPEAN JOURNAL
- Investigations into the Nature of Halogen Bonding Including Symmetry Adapted Perturbation Theory Analyses
- (2008) Kevin E. Riley et al. Journal of Chemical Theory and Computation
- Expansion of the σ-hole concept
- (2008) Jane S. Murray et al. JOURNAL OF MOLECULAR MODELING
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