Calculations of current densities and aromatic pathways in cyclic porphyrin and isoporphyrin arrays

Metal-Assisted One-Pot Synthesis of Isoporphyrin Complexes

(2016) Peter Schweyen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Nucleophilic ring-opening of iron(iii)-hydroxy-isoporphyrin

(2016) Jagannath Bhuyan   DALTON TRANSACTIONS

Gauge-Origin Independent Calculations of the Anisotropy of the Magnetically Induced Current Densities

(2016) Heike Fliegl et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Analysis of the magnetically induced current density of molecules consisting of annelated aromatic and antiaromatic hydrocarbon rings

(2016) Dage Sundholm et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

New insights into aromatic pathways of carbachlorins and carbaporphyrins based on calculations of magnetically induced current densities

(2016) Isaac Benkyi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Conjugated porphyrin arrays: synthesis, properties and applications for functional materials

(2015) Takayuki Tanaka et al.   CHEMICAL SOCIETY REVIEWS

Metalloisoporphyrins: from synthesis to applications

(2015) Jagannath Bhuyan   DALTON TRANSACTIONS

Aromatic Pathways in Carbathiaporphyrins

(2015) Rashid R. Valiev et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Evaluating Shielding-Based Ring-Current Models by Using the Gauge-Including Magnetically Induced Current Method

(2015) Dou Du et al.   JOURNAL OF THE CHINESE CHEMICAL SOCIETY

Predicting the degree of aromaticity of novel carbaporphyrinoids

(2015) Rashid R. Valiev et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Is NICS a reliable aromaticity index for transition metal clusters?

(2015) Cina Foroutan-Nejad   THEORETICAL CHEMISTRY ACCOUNTS

Assessment of Ring Current Models for Monocycles

(2014) Guglielmo Monaco et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Antiaromatic Character of 16 π Electron Octaethylporphyrins: Magnetically Induced Ring Currents from DFT-GIMIC Calculations

(2014) Heike Fliegl et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The aromatic character of thienopyrrole-modified 20π-electron porphyrinoids

(2014) Rashid R. Valiev et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A voyage into the synthesis and photophysics of homo- and heterobinuclear ensembles of phthalocyanines and porphyrins

(2013) Gema de la Torre et al.   CHEMICAL SOCIETY REVIEWS

All-Metal Aromaticity: Revisiting the Ring Current Model among Transition Metal Clusters

(2013) Zahra Badri et al.   Journal of Chemical Theory and Computation

Polygonal Current Model: An Effective Quantifier of Aromaticity on the Magnetic Criterion

(2013) Stefano Pelloni et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Insights into Magnetically Induced Current Pathways and Optical Properties of Isophlorins

(2013) Rashid R. Valiev et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A Selective Stepwise Heme Oxygenase Model System: An Iron(IV)-Oxo Porphyrin π-Cation Radical Leads to a Verdoheme-Type Compound via an Isoporphyrin Intermediate

(2013) Isaac Garcia-Bosch et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Aromatic pathways in thieno-bridged porphyrins: understanding the influence of the direction of the thiophene ring on the aromatic character

(2013) Heike Fliegl et al.   MOLECULAR PHYSICS

Preferential Formation of Cyclic Trimers by Palladium-Catalyzed Oxidative Coupling Reactions of 2,18-Diethynylporphyrins

(2012) Sumito Tokuji et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Aromatic Pathways of Porphins, Chlorins, and Bacteriochlorins

(2012) Heike Fliegl et al.   JOURNAL OF ORGANIC CHEMISTRY

Formation of Iron(III) meso-Chloro-isoporphyrin as a Reactive Chlorinating Agent from Oxoiron(IV) Porphyrin π-Cation Radical

(2012) Zhiqi Cong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Calculation of spin-current densities using gauge-including atomic orbitals

(2011) Stefan Taubert et al.   JOURNAL OF CHEMICAL PHYSICS

Aromatic pathways in mono- and bisphosphorous singly Möbius twisted [28] and [30]hexaphyrins

(2011) Heike Fliegl et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Beyond NICS: estimation of the magnetotropicity of inorganic unsaturated planar rings

(2011) Stefano Pelloni et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The gauge including magnetically induced current method

(2011) Heike Fliegl et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A β-to-β 2,5-thienylene-bridged cyclic porphyrin tetramer: its rational synthesis and 1 : 2 binding mode with C60

(2011) Jianxin Song et al.   Chemical Science

Oxidative Degradation of Zinc Porphyrin in Comparison with Its Iron Analogue

(2010) Jagannath Bhuyan et al.   CHEMISTRY-A EUROPEAN JOURNAL

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Aromatic Pathways in Twisted Hexaphyrins

(2010) Heike Fliegl et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Magnetically Induced Currents in Bianthraquinodimethane-Stabilized Möbius and Hückel [16]Annulenes

(2009) Stefan Taubert et al.   JOURNAL OF ORGANIC CHEMISTRY

Magnetically Induced Current Densities in Aromatic, Antiaromatic, Homoaromatic, and Nonaromatic Hydrocarbons

(2009) Heike Fliegl et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The Porphyrin Twist: Hückel and Möbius Aromaticity

(2008) Norbert Jux   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

2,5-Thienylene-Bridged Triangular and Linear Porphyrin Trimers

(2008) Jianxin Song et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Protonation-Triggered Conformational Changes to Möbius Aromatic [32]Heptaphyrins(1.1.1.1.1.1.1)

(2008) Shohei Saito et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Isoporphyrin Intermediate in Heme Oxygenase Catalysis

(2008) John P. Evans et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Calculation of Magnetically Induced Currents in Hydrocarbon Nanorings

(2008) Stefan Taubert et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Intrinsically Chiral Aromaticity. Rules Incorporating Linking Number, Twist, and Writhe for Higher-Twist Möbius Annulenes

(2008) Shay M. Rappaport et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Polycyclic antiaromatic hydrocarbons

(2008) Jonas Jusélius et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS