Effect of the External Electric Field on the Electronic Structure and Aromaticity of Iridabenzene: A DFT Study

The Analysis of Os≡C Bond and Electric Field Influence on the Properties in the Osmium Carbyne Complex OsCl3 (≡CCH2 CMe3 )(PH3 )2 : A Theoretical Insight

(2017) Mostafa Khademi Shamami et al.   JOURNAL OF THE CHINESE CHEMICAL SOCIETY

Electrostatic catalysis of a Diels–Alder reaction

(2016) Albert C. Aragonès et al.   NATURE

Oriented electric fields as future smart reagents in chemistry

(2016) Sason Shaik et al.   Nature Chemistry

Theoretical view on structure, chemical reactivity, aromaticity and 14N NQR parameters of iridapyridine isomers

(2015) R. Ghiasi et al.   JOURNAL OF STRUCTURAL CHEMISTRY

Substituent and solvent effects on geometric and electronic structure of C5H5Ir(PH3)3 iridabenzene: A theoretical insight

(2015) R. Ghiasi et al.   JOURNAL OF STRUCTURAL CHEMISTRY

Effect of external electric field on ground and singlet excited states of phenylalanine: A theoretical study

(2015) Pradip Kr. Bhattacharyya   Computational and Theoretical Chemistry

Density functional theory study of electric field effects on the isomerization of a photochromic molecular switch based on 1,2-dithienylethene

(2014) Ehsan Zahedi et al.   CANADIAN JOURNAL OF CHEMISTRY

Analysis of the Aromaticity of Five-Membered Heterometallacycles Containing Os, Ru, Rh, and Ir

(2014) Rafael Islas et al.   ORGANOMETALLICS

Recent development in the chemistry of transition metal-containing metallabenzenes and metallabenzynes

(2013) Jiangxi Chen et al.   COORDINATION CHEMISTRY REVIEWS

Theoretical investigations on electronics structure and chemical bonding on iridathiabenzene and iridaoxabenzene

(2013) Reza Ghiasi et al.   Russian Journal of Physical Chemistry A

Quantum mechanical study of the structure, natural bond analysis, HOMO–LUMO analysis, substituents effect, and aromaticity on iridanaphthalene

(2013) Reza Ghiasi   STRUCTURAL CHEMISTRY

Electric-field induced mutation of DNA: a theoretical investigation of the GC base pair

(2012) José P. Cerón-Carrasco et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Effects of external electric fields on double proton transfer kinetics in the formic acid dimer

(2011) Alya A. Arabi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theoretical study on platinabenzene and mono- and difluorinated platinabenzenes: Structure, properties, and aromaticity

(2011) R. Ghiasi   RUSSIAN JOURNAL OF COORDINATION CHEMISTRY

Theoretical investigation on geometries and aromaticity of heterocyclic platinabenzenes

(2011) R. Ghiasi et al.   RUSSIAN JOURNAL OF COORDINATION CHEMISTRY

Effect of external electric field on aziridinium ion intermediate: A DFT study

(2011) Babul Neog et al.   Computational and Theoretical Chemistry

Property-optimized Gaussian basis sets for molecular response calculations

(2010) Dmitrij Rappoport et al.   JOURNAL OF CHEMICAL PHYSICS

Designing Molecular Switches Based on DNA-Base Mispairing

(2010) A. K. Jissy et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Annulation of Metallabenzenes: From Osmabenzene to Osmabenzothiazole to Osmabenzoxazole

(2009) Tongdao Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Annulation of an Iridabenzene through Formal Cycloaddition Reactions with Organonitriles

(2009) Andrew F. Dalebrook et al.   ORGANOMETALLICS

Platinabenzenes: Synthesis, Properties, and Reactivity Studies of a Rare Class of Metalla-aromatics†

(2009) Volker Jacob et al.   ORGANOMETALLICS

A Stable Iridabenzene Formed from an Iridacyclopentadiene Where the Additional Ring-Carbon Atom Is Derived from a Thiocarbonyl Ligand

(2008) George R. Clark et al.   ORGANOMETALLICS

cclib: A library for package-independent computational chemistry algorithms

(2007) Noel M. O'boyle et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY