Mechanistic studies of transition-metal-catalyzed [2+ 2+ 2] cycloaddition reactions

A Roglans, A Pla-Quintana, M Sola - Chemical Reviews, 2020 - ACS Publications
The development of catalytic methodologies involving the formation of C–C bonds to enable
the generation of cyclic systems constitutes a field of great relevance in synthetic organic …

Ring currents

P Lazzeretti - Progress in nuclear magnetic resonance spectroscopy, 2000 - Elsevier
Proposed more than 60 years ago, the ring current model (RCM) is still widely used to
rationalize the peculiar magnetic properties of aromatic molecules at the turn of the century …

Computational chemistry

EG Lewars - Introduction to the theory and applications of molecular …, 2011 - Springer
Every attempt to employ mathematical methods in the study of chemical questions must be
considered profoundly irrational and contrary to the spirit of chemistry. If mathematical …

Calculation of current densities using gauge-including atomic orbitals

J Jusélius, D Sundholm, J Gauss - The Journal of chemical physics, 2004 - pubs.aip.org
A method for calculating the various components of the magnetically induced current-density
tensor using gauge-including atomic orbitals is described. The method is formulated in the …

[图书][B] Chemical reactivity theory: a density functional view

PK Chattaraj - 2009 - taylorfrancis.com
In the 1970s, Density Functional Theory (DFT) was borrowed from physics and adapted to
chemistry by a handful of visionaries. Now chemical DFT is a diverse and rapidly growing …

[图书][B] Aromaticity: Modern Computational Methods and Applications

I Fernández - 2021 - books.google.com
Evaluating the aromaticity of a molecular system and the influence of this concept on its
properties is a crucial step in the development of novel aromatic systems. Modern …

Azomethine ylides in organic synthesis

C Najera, JM Sansano - Current Organic Chemistry, 2003 - benthamdirect.com
This review will attempt to cover the literatures published from 1988 dealing with cyclic and
acyclic azomethine ylides in which a part or the whole of the ylide conjugation is included in …

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

F Feixas, E Matito, J Poater… - Journal of computational …, 2008 - Wiley Online Library
Aromaticity is a central chemical concept widely used in modern chemistry for the
interpretation of molecular structure, stability, reactivity, and magnetic properties of many …

Conceptual DFT: chemistry from the linear response function

P Geerlings, S Fias, Z Boisdenghien… - Chemical Society …, 2014 - pubs.rsc.org
Within the context of reactivity descriptors known in conceptual DFT, the linear response
function (χ (r, r′)) remained nearly unexploited. Although well known, in its time dependent …

Homoaromaticity

RV Williams - Chemical Reviews, 2001 - ACS Publications
In 1959 Winstein introduced the term “homoaromatic” to describe compounds that display
aromaticity despite one or more saturated linkages interrupting the formal cyclic conjugation …