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。Nucleophilicity and electrophilicity of silylenes from a molecular electrostatic potential and dual descriptor perspectives
Jose V. Correa et al.
CHEMICAL PHYSICS LETTERS (2009)
A New View on the Spectrochemical and Nephelauxetic Series on the Basis of Spin-Polarized Conceptual DFT
Jan Moens et al.
CHEMPHYSCHEM (2009)
Initial hardness response and hardness profiles in the study of Woodward-Hoffmann rules for electrocyclizations
F. De Proft et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
The study of redox reactions on the basis of conceptual DFT principles: EEM and vertical quantities
Jan Moens et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Conceptual DFT: the chemical relevance of higher response functions
P. Geerlings et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Silylenes:: A unified picture of their stability, acid-base and spin properties, nucleophilicity, and electrophilicity via computational and conceptual density functional theory
Julianna Olah et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
New organic chemistry of sulfur dioxide
Pierre Vogel et al.
ACCOUNTS OF CHEMICAL RESEARCH (2007)
Understanding the Woodward-Hoffmann rules by using changes in electron density
Paul W. Ayers et al.
CHEMISTRY-A EUROPEAN JOURNAL (2007)
A conceptual DFT approach for the evaluation and interpretation of redox potentials
Jan Moens et al.
CHEMISTRY-A EUROPEAN JOURNAL (2007)
Can electrophilicity act as a measure of the redox potential of first-row transition metal ions?
Jan Moens et al.
CHEMISTRY-A EUROPEAN JOURNAL (2007)
Calculation of negative electron affinity and aqueous anion hardness using Kohn-Sham HOMO and LUMO energies
Frank De Proft et al.
FARADAY DISCUSSIONS (2007)
Woodward-Hoffmann rules in density functional theory: Initial hardness response
Frank De Proft et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Computation of the hardness and the problem of negative electron affinities in density functional theory
DJ Tozer et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Perturbative perspectives on the chemical reaction prediction problem
PW Ayers et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2005)
New dual descriptor for chemical reactivity
C Morell et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Conceptual density functional theory
P Geerlings et al.
CHEMICAL REVIEWS (2003)
分享论文
