(Q58176659)

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Competition between halogen, dihalogen and hydrogen bonds in bromo- and iodomethanol dimers

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Competition between halogen, dihalogen and hydrogen bonds in bromo- and iodomethanol dimers (English)

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Jan Řezáč

2

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Pavel Hobza

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Pavel Hobza

series ordinal

3

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author name string

Kevin E. Riley

series ordinal

1

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publication date

8 January 2013

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published in

Journal of Molecular Modeling

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volume

19

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issue

7

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page(s)

2879-2883

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cites work

An overview of halogen bonding

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

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Halogen bonds in biological molecules

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S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures.

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Stabilization and structure calculations for noncovalent interactions in extended molecular systems based on wave function and density functional theories.

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Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes

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21 January 2018

Extrapolation and Scaling of the DFT-SAPT Interaction Energies toward the Basis Set Limit

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Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies

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Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds.

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21 January 2018

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

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21 January 2018

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

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/23296565

retrieved

12 December 2020

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On geometries of stacked and H-bonded nucleic acid base pairs determined at various DFT, MP2, and CCSD(T) levels up to the CCSD(T)/complete basis set limit level

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stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/23296565

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12 December 2020

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Identifiers

DOI

10.1007/S00894-012-1727-2

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PubMed publication ID

23296565

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(Q58176659)

Competition between halogen, dihalogen and hydrogen bonds in bromo- and iodomethanol dimers

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