Results 271 to 280 of about 11,211,103 (281)

Conceptual Density Functional Theory of Chemical Reactivity

2015
openaire   +1 more source

Conceptual Density Functional Theory and Some Recent Developments

Acta Physico-Chimica Sinica, 2009
openaire   +1 more source

Editorial: Conceptual Density Functional Theory: Its Grand Application to Atomic and Molecular Domain

Current Physical Chemistry, 2017
Nazmul Islam
exaly  

The Conceptual Density Functional Theory Perspective of Bonding

2014
De Proft, Frank, Ayers, P.w., Geerlings, Paul   +2 more
openaire   +1 more source

Systematic treatment of spin-reactivity indicators in conceptual density functional theory

Theoretical Chemistry Accounts, 2016
Ramon Miranda-Quintana, Paul Ayers
exaly  

Theoretical models of solubility for organic solvents. A conceptual density functional theory approach

Journal of Molecular Liquids
Renato Contreras, Bruno Sanchez
exaly  

Steric Effect and Intrinsic Electrophilicity and Nucleophilicity from Conceptual Density Functional Theory and Information‐Theoretic Approach as Quantitative Probes of Chemical Reactions

Chemistry - A European Journal
Ming Lei, Shubin Liu
exaly  

Review for "Temperature and External Fields in Conceptual Density Functional Theory"

  +5 more sources

Recent Developments in Conceptual Density Functional Theory; Theory and Applications (Abstr)

2005
De Proft, Frank, Geerlings, Paul
openaire   +1 more source

Conceptual Density Functional Theory and Its Application in the Chemical Domain

2018
openaire   +1 more source