4.6 Article

σ, π aromaticity and anti-aromaticity as retrieved by the linear response kernel

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Review Chemistry, Multidisciplinary

The Woodward-Hoffmann Rules Reinterpreted by Conceptual Density Functional Theory

Paul Geerlings et al.

ACCOUNTS OF CHEMICAL RESEARCH (2012)

Article Chemistry, Physical

The linear response kernel of conceptual DFT as a measure of aromaticity

Nick Sablon et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)

Article Chemistry, Organic

Linear Response and Measures of Electron Delocalization in Molecules

Janos G. Angyan

CURRENT ORGANIC CHEMISTRY (2011)

Article Chemistry, Physical

Thelinear response kernel of conceptual DFT as a measure of electron delocalisation

Nick Sablon et al.

CHEMICAL PHYSICS LETTERS (2010)

Article Chemistry, Physical

The Linear Response Kernel: Inductive and Resonance Effects Quantified

Nick Sablon et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)

Review Chemistry, Multidisciplinary

On the performance of some aromaticity indices:: A critical assessment using a test set

Ferran Feixas et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)

Article Chemistry, Organic

Evidence from current-density mapping for σ-delocalisation in the aromatic hexaiodobenzene cation

Remco W. A. Havenith et al.

TETRAHEDRON LETTERS (2008)

Article Chemistry, Physical

Uniqueness and basis set dependence of iterative Hirshfeld charges

Patrick Bultinck et al.

CHEMICAL PHYSICS LETTERS (2007)

Article Chemistry, Physical

Critical analysis and extension of the Hirshfeld atoms in molecules

Patrick Bultinck et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

The physical basis of the hard/soft acid/base principle

Paul W. Ayers

FARADAY DISCUSSIONS (2007)

Article Chemistry, Physical

Woodward-Hoffmann rules in density functional theory: Initial hardness response

Frank De Proft et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

Relative hardness as a measure of aromaticity

F De Proft et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2004)

Article Chemistry, Physical

Assessment of aromaticity via molecular response properties

P Lazzeretti

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2004)

Review Chemistry, Multidisciplinary

Conceptual density functional theory

P Geerlings et al.

CHEMICAL REVIEWS (2003)

Article Chemistry, Physical

Trimerization of ethyne: Growth and evolution of ring currents in the formation of the benzene ring

RWA Havenith et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2003)

Article Chemistry, Organic

To what extent can aromaticity be defined uniquely?

MK Cyrañski et al.

JOURNAL OF ORGANIC CHEMISTRY (2002)

Article Chemistry, Physical

Patterns of ring currents in conjugated molecules: A few-electron model based on orbital contributions

E Steiner et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2001)

Article Chemistry, Physical

Strategies for computing chemical reactivity indices

PW Ayers

THEORETICAL CHEMISTRY ACCOUNTS (2001)

Review Chemistry, Multidisciplinary

Structural aspects of aromaticity

TM Krygowski et al.

CHEMICAL REVIEWS (2001)

Review Chemistry, Multidisciplinary

Conceptual and computational DFT in the study of aromaticity

F De Proft et al.

CHEMICAL REVIEWS (2001)

Article Chemistry, Physical

Correlation of bond orders and softnesses

JG Angyán

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2000)