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。THE CLOSE RELATION BETWEEN CYCLIC DELOCALIZATION, ENERGY EFFECTS OF CYCLES AND AROMATICITY
Robert Ponec et al.
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS (2009)
Atomic charge densities generated using an iterative stockholder procedure
Timothy C. Lillestolen et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Electrostatic Potentials from Self-Consistent Hirshfeld Atomic Charges
Sofie Van Damme et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Comparison of the Hirshfeld-I and iterated stockholder atoms in molecules schemes
Patrick Bultinck et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Redefining the atom: atomic charge densities produced by an iterative stockholder approach
Timothy C. Lillestolen et al.
CHEMICAL COMMUNICATIONS (2008)
On the performance of some aromaticity indices:: A critical assessment using a test set
Ferran Feixas et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Uniqueness and basis set dependence of iterative Hirshfeld charges
Patrick Bultinck et al.
CHEMICAL PHYSICS LETTERS (2007)
Properties of aromaticity indices based on the one-electron density matrix
Jerzy Cioslowski et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Electron delocalization and aromaticity measures within the Huckel molecular orbital method
Eduard Matito et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2007)
Aromaticity of distorted benzene rings:: Exploring the validity of different indicators of aromaticity
Ferran Feixas et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Critical analysis and extension of the Hirshfeld atoms in molecules
Patrick Bultinck et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Critical analysis of the local aromaticity concept in polyaromatic hydrocarbons
Patrick Bultinck
FARADAY DISCUSSIONS (2007)
Electron sharing indexes at the correlated level. Application to aromaticity calculations
Eduard Matito et al.
FARADAY DISCUSSIONS (2007)
The aromatic fluctuation index (FLU):: A new aromaticity index based on electron delocalization (vol 122, pg 014109, 2005)
Eduard Matito et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Electron localization function at the correlated level
Eduard Matito et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
An experimentalist's reply to What is an atom in a molecule?
Cherif F. Matta et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Aromaticity measures from fuzzy-atom bond orders (FBO).: The aromatic fluctuation (FLU) and the para-delocalization (PDI) indexes
E Matito et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
A molecular energy decomposition scheme for atoms in molecules
E Francisco et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2006)
Comparison of the AIM delocalization index and the Mayer and Fuzzy atom bond orders
E Matito et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Theoretical evaluation of electron delocalization in aromatic molecules by means of atoms in molecules (AIM) and electron localization function (ELF) topological approaches
J Poater et al.
CHEMICAL REVIEWS (2005)
Multicenter bond indices as a new measure of aromaticity in polycyclic aromatic hydrocarbons
P Bultinck et al.
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (2005)
Multicenter bond indices as a new means for the quantitative characterization of homoaromaticity
R Ponec et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
The aromatic fluctuation index (FLU): A new aromaticity index based on electron delocalization
E Matito et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Overlap populations, bond orders and valences for 'fuzzy' atoms
I Mayer et al.
CHEMICAL PHYSICS LETTERS (2004)
Atomic charges are measurable quantum expectation values: A rebuttal of criticisms of QTAIM charges
RFW Bader et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Bonding in polycyclic aromatic hydrocarbons in terms of the electron density and of electron delocalization
CF Matta et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
An insight into the local aromaticities of polycyclic aromatic hydrocarbons and fullerenes
J Poater et al.
CHEMISTRY-A EUROPEAN JOURNAL (2003)
To what extent can aromaticity be defined uniquely?
MK Cyrañski et al.
JOURNAL OF ORGANIC CHEMISTRY (2002)
A consistent approach toward atomic radii
CH Suresh et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Structural aspects of aromaticity
TM Krygowski et al.
CHEMICAL REVIEWS (2001)
Quantitative measures of aromaticity for mono-, bi-, and tricyclic penta- and hexaatomic heteroaromatic ring systems and their interrelationships
AR Katritzky et al.
CHEMICAL REVIEWS (2001)
Graphical linking of MO multicenter bond index and VB structures. II-5-c rings and 6-c heterocyclic rings
CG Bollini et al.
STRUCTURAL CHEMISTRY (2001)
Multicenter bond indices as a measure of aromaticity
M Giambiagi et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2000)
分享论文
