Oxygen bound iodine (O–I): The Electron Localization Function (ELF) study on bonding in cis- and trans-IONO

No abstract is available for this paper.

• Publication year

  2011

• Venue

  Chemical Physics Letters

• Publication date

  2011-04-11

• Fields of study

  Chemistry

• Identifiers
  DOI 10.1016/J.CPLETT.2011.02.043
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar

• No claims are published for this paper.

• No concepts are published for this paper.

• Electron localization function and electron localizability indicator applied to study the bonding in the peroxynitrous acid HOONO

  2011cited by this paper
• Quantum chemical topology study on the electronic structure of cis- and trans-FONO.

  2010cited by this paper
• Protocovalent N–O bonding in methyl nitrite (CH3ONO) and ethyl nitrite (C2H5ONO). Topological analysis of the electron localization function (ELF) and electron localizability indicator (ELI-D) functions

  2010cited by this paper
• Topology of electron charge density for chemical bonds from valence bond theory: a probe of bonding types.

  2009cited by this paper
• Gaussian 09W, revision A. 02

  2009cited by this paper
• Toward an ab initio fragment database for bioisosterism: Dependence of QCT properties on level of theory, conformation, and chemical environment

  2009cited by this paper
• The protocovalent NO bond: Quantum chemical topology (QCT of ELF and ELI-D) study on the bonding in the nitrous acid HONO and its relevancy to the experiment

  2008cited by this paper
• Basis Set Exchange: A Community Database for Computational Sciences

  2007cited by this paper
• Theoretical investigation of the mechanism of the reaction IO + NO → I + NO2

  2006cited by this paper
• Ab initio investigation of isomeric and conformeric structures of halogen nitrites, XONO (X = Cl, Br, I)

  2006cited by this paper
• Charge-shift bonding--a class of electron-pair bonds that emerges from valence bond theory and is supported by the electron localization function approach.

  2005cited by this paper
• A new reaction: vacuum synthesis and characterization of IONO2 and IONO

  2005cited by this paper
• Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy.

  2005cited by this paper
• A Measure of Electron Localizability

  2004cited by this paper
• UCSF Chimera—A visualization system for exploratory research and analysis

  2004cited by this paper
• Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post-d group 16–18 elements

  2003cited by this paper
• The full topology of the Laplacian of the electron density: scrutinising a physical basis for the VSEPR model.

  2003cited by this paper
• The N-O bond in covalent nitrates and nitrites

  2002cited by this paper
• A quantitative measure of bond polarity from the electron localization function and the theory of atoms in molecules

  2001cited by this paper
• Computational Tools for the Electron Localization Function Topological Analysis

  1999cited by this paper
• Topological analysis of electron density in depleted homopolar chemical bonds

  1999cited by this paper
• How Malonaldehyde Bonds Change during Proton Transfer

  1998cited by this paper
• Influence of core–valence separation of electron localization function

  1997cited by this paper
• VMD: visual molecular dynamics.

  1996cited by this paper
• The role of databases in support of computational chemistry calculations

  1996cited by this paper
• Topological analysis of the electron localization function applied to delocalized bonds

  1996cited by this paper
• The varying nature of fluorine oxygen bonds

  1996cited by this paper
• Potential impact of iodine on tropospheric levels of ozone and other critical oxidants

  1996cited by this paper
• Extension of Gaussian‐2 (G2) theory to bromine‐ and iodine‐containing molecules: Use of effective core potentials

  1995cited by this paper
• Classification of chemical bonds based on topological analysis of electron localization functions

  1994cited by this paper
• Density-functional thermochemistry. III. The role of exact exchange

  1993cited by this paper
• A New Mixing of Hartree-Fock and Local Density-Functional Theories

  1993cited by this paper
• Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions

  1992cited by this paper
• Atoms in molecules : a quantum theory

  1990cited by this paper
• Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

  1989cited by this paper
• Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density.

  1988cited by this paper
• Quadratic configuration interaction. A general technique for determining electron correlation energies

  1987cited by this paper
• Electron-density distribution in crystals of lithium nitrite hydrate, LiNO2.H2O, at 120 K

  1985cited by this paper
• Photochemical aspects of tropospheric iodine behaviour

  1985cited by this paper
• Iodine - Its possible role in tropospheric photochemistry

  1980cited by this paper
• Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions

  1980cited by this paper
• A scale of electronegativity based on electrostatic force

  1958cited by this paper
• Note on an Approximation Treatment for Many-Electron Systems

  1934cited by this paper

• Unconventional Electron-Deficient Multicenter Bonds in AIO3 Perovskites

  2025cites this paper
• Charge-Shift Bonding: A New and Unique Form of Bonding.

  2019cites this paper
• Diversity of the Nature of the Nitrogen-Oxygen Bond in Inorganic and Organic Nitrites in the Light of Topological Analysis of Electron Localisation Function (ELF)

  2016cites this paper
• Iodine bonding stabilizes iodomethane in MIDAS pesticide. Theoretical study of intermolecular interactions between iodomethane and chloropicrin.

  2012cites this paper
• Topological (ELF and ρ) study of the unusually long N–O bond in (CF3)2NO–NO

  2012cites this paper
• Comparative density functional theory and post-Hartree-Fock (CCSD, CASSCF) studies on the electronic structure of halogen nitrites ClONO and BrONO using quantum chemical topology.

  2011cites this paper