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 Site Selectivity of Commonly Used Arenes and Heteroarenes (vol 75, pg 4957, 2010)
Sanjay Pratihar et al.
JOURNAL OF ORGANIC CHEMISTRY (2011)
Nucleophilicity and Site Selectivity of Commonly Used Arenes and Heteroarenes
Sanjay Pratihar et al.
JOURNAL OF ORGANIC CHEMISTRY (2010)
A condensed-to-atom nucleophilicity index. An application to the director effects on the electrophilic aromatic substitutions
Patricia Perez et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2009)
Universal mathematical identities in density functional theory:: Results from three different spin-resolved representations
P. Perez et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Dual descriptors within the framework of spin-polarized density functional theory
E. Chamorro et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Calculation of Fukui functions without differentiating to the number of electrons. 3. Local Fukui function and dual descriptor
Tim Fievez et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
A further exploration of a nucleophilicity index based on the gas-phase ionization potentials
Paula Jaramillo et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2008)
An Intrinsic Radical Stability Scale from the Perspective of Bond Dissociation Enthalpies: A Companion to Radical Electrophilicities
Freija De Vleeschouwer et al.
JOURNAL OF ORGANIC CHEMISTRY (2008)
Understanding the reactivity of captodative ethylenes in polar cycloaddition reactions.: A theoretical study
Luis R. Domingo et al.
JOURNAL OF ORGANIC CHEMISTRY (2008)
An understanding of the electrophilic/nucleophilic behavior of electro-deficient 2,3-disubstituted 1,3-butadienes in polar Diels-Alder reactions.: A density functional theory study
Luis R. Domingo et al.
JOURNAL OF PHYSICAL CHEMISTRY A (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)
Computing Fukui functions without differentiating with respect to electron number. I. Fundamentals
Paul W. Ayers et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Computing Fukui functions without differentiating with respect to electron number. II. Calculation of condensed molecular Fukui functions
Nick Sablon et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Electrodonating and electroaccepting powers
Jose L. Gazquez et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Spin-polarized conceptual density functional theory study of the regioselectivity in ring closures of radicals
B. Pinter et al.
JOURNAL OF ORGANIC CHEMISTRY (2007)
Update 1 of: Electrophilicity Index
Pratim Kumar Chattaraj et al.
CHEMICAL REVIEWS (2007)
Nucleophilic reactivities of indoles
Sami Lakhdar et al.
JOURNAL OF ORGANIC CHEMISTRY (2006)
Conceptual, qualitative, and quantitative theories of 1,3-dipolar and Diels-Alder cycloadditions used in synthesis
Daniel H. Ess et al.
ADVANCED SYNTHESIS & CATALYSIS (2006)
pKa prediction using group philicity
R. Parthasarathi et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Careful scrutiny of the philicity concept
DR Roy et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Towards a general scale of nucleophilicity?
Thanh Binh Phan et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2006)
Electrophilicity index
Pratim Kumar Chattaraj et al.
CHEMICAL REVIEWS (2006)
Local descriptors around a transition state: A link between chemical bonding and reactivity
PK Chattaraj et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
A philicity based analysis of adsorption of small molecules in zeolites
A Cuan et al.
JOURNAL OF CHEMICAL SCIENCES (2005)
Intermolecular reactivity through the generalized philicity concept
R Parthasarathi et al.
CHEMICAL PHYSICS LETTERS (2004)
A theoretical study on the relationship between nucleophilicity and ionization potentials in solution phase
R Contreras et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
Philicity: A unified treatment of chemical reactivity and selectivity
PK Chattaraj et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
Chemical reactivity of the spherically confined atoms
PK Chattaraj et al.
CHEMICAL PHYSICS LETTERS (2003)
Conceptual density functional theory
P Geerlings et al.
CHEMICAL REVIEWS (2003)
Quantitative characterization of the local electrophilicity of organic molecules.: Understanding the regioselectivity on Diels-Alder reactions
LR Domingo et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Quantitative characterization of the global electrophilicity power of common diene/dienophile pairs in Diels-Alder reactions
LR Domingo et al.
TETRAHEDRON (2002)
Reference scales for the characterization of cationic electrophiles and neutral nucleophiles
H Mayr et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
分享论文
