(Q82680392)

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17 January 2020

title

Theoretical investigations of the H···π and X (X = F, Cl, Br, I)···π complexes between hypohalous acids and benzene (English)

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17 January 2020

author name string

Qiang Zhao

1

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17 January 2020

Dacheng Feng

2

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17 January 2020

Youmin Sun

3

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17 January 2020

Jingcheng Hao

4

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17 January 2020

Zhengting Cai

5

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17 January 2020

publication date

1 December 2010

1 reference

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Journal of Molecular Modeling

17 January 2020

published in

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17 January 2020

volume

17

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17 January 2020

issue

8

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17 January 2020

page(s)

1935-1939

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https://scigraph.springernature.com/pub.10.1007/s00894-010-0906-2

17 January 2020

exact match

0 references

cites work

Prereactive Complexes of Dihalogens XY with Lewis Bases B in the Gas Phase: A Systematic Case for the Halogen Analogue B⋅⋅⋅XY of the Hydrogen Bond B⋅⋅⋅HX

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12 December 2020

Sigma-hole bonding between like atoms; a fallacy of atomic charges

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12 December 2020

State of the Art and Challenges of the ab Initio Theory of Intermolecular Interactions

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12 December 2020

Halogen bonding: the sigma-hole. Proceedings of "Modeling interactions in biomolecules II", Prague, September 5th-9th, 2005

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12 December 2020

Emerging supramolecular chemistry of gases.

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12 December 2020

Computational investigation of the weakly bound dimers HOX...SO(3) (X = F, Cl, Br)

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12 December 2020

Br···O Complexes as Probes of Factors Affecting Halogen Bonding: Interactions of Bromobenzenes and Bromopyrimidines with Acetone

1 reference

12 December 2020

Universal features of the electron density distribution in hydrogen-bonding regions: a comprehensive study involving H...X (X=H, C, N, O, F, S, Cl, pi) interactions

1 reference

12 December 2020

Chemistry. Halogen versus hydrogen

1 reference

12 December 2020

Halogen bonds in biological molecules

1 reference

12 December 2020

Complexes pairing hypohalous acids with nitrosyl hydride. blue shift of a NH bond that is uninvolved in a H-bond.

1 reference

12 December 2020

Nature and physical origin of CH/π interaction: significant difference from conventional hydrogen bonds

1 reference

12 December 2020

Magnitude of the CH/π Interaction in the Gas Phase: Experimental and Theoretical Determination of the Accurate Interaction Energy in Benzene-methane

1 reference

12 December 2020

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy.

1 reference

12 December 2020

Expansion of the sigma-hole concept

1 reference

12 December 2020

Sigma-hole bonding: molecules containing group VI atoms

1 reference

12 December 2020

Substituent effects in the benzene dimer are due to direct interactions of the substituents with the unsubstituted benzene

1 reference

12 December 2020

Molecular Clusters of π-Systems: Theoretical Studies of Structures, Spectra, and Origin of Interaction Energies

1 reference

12 December 2020

Halogen bonding: an electrostatically-driven highly directional noncovalent interaction

1 reference

12 December 2020

Energetic vs Synergetic Stability: A Theoretical Study

1 reference

12 December 2020

Investigations into the Nature of Halogen Bonding Including Symmetry Adapted Perturbation Theory Analyses

1 reference

12 December 2020

Competition between hydrogen bond and halogen bond in complexes of formaldehyde with hypohalous acids.

1 reference

12 December 2020

Halogen Bonding versus Hydrogen Bonding in Driving Self-Assembly Processes Perfluorocarbon-hydrocarbon self-assembly, part IX. This work was supported by MURST (Cofinanziamento '99) and EU (COST-D12-0012). We thank Dr. A. Lunghi and Dr. P. Cardillo

1 reference

12 December 2020

Magnitude and Nature of Interactions in Benzene−X (X = Ethylene and Acetylene) in the Gas Phase: Significantly Different CH/π Interaction of Acetylene As Compared with Those of Ethylene and Methane

1 reference

12 December 2020

Theoretical study of the 1:1 complexes between carbon monoxide and hypohalous acids

1 reference

12 December 2020

Supramolecular coordination chemistry: the synergistic effect of serendipity and rational design

1 reference

12 December 2020

Halogen bonding and the design of new materials: organic bromides, chlorides and perhaps even fluorides as donors.

1 reference

12 December 2020

Halogen bonding based recognition processes: a world parallel to hydrogen bonding

1 reference

12 December 2020

An overview of halogen bonding

1 reference

12 December 2020

10.1007/S00894-010-0906-2

Identifiers

DOI

1 reference

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17 January 2020

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