New Charge-Transfer Complexes with 1,2,5-Thiadiazoles as Both Electron Acceptors and Donors Featuring an Unprecedented Addition Reaction

Charge Generation Pathways in Organic Solar Cells: Assessing the Contribution from the Electron Acceptor

(2016) Dani M. Stoltzfus et al.   CHEMICAL REVIEWS

Ordered covalent organic frameworks, COFs and PAFs. From preparation to application

(2016) Urbano Díaz et al.   COORDINATION CHEMISTRY REVIEWS

Computational identification of organic porous molecular crystals

(2016) Jack D. Evans et al.   CRYSTENGCOMM

Carbocyclic functionalization of quinoxalines, their chalcogen congeners 2,1,3-benzothia/selenadiazoles, and related 1,2-diaminobenzenes based on nucleophilic substitution of fluorine

(2016) Tatiana F. Mikhailovskaya et al.   JOURNAL OF FLUORINE CHEMISTRY

Solvation-Driven Charge Transfer and Localization in Metal Complexes

(2015) Ariana Rondi et al.   ACCOUNTS OF CHEMICAL RESEARCH

Benzothiadiazole Derivatives as Fluorescence Imaging Probes: Beyond Classical Scaffolds

(2015) Brenno A. D. Neto et al.   ACCOUNTS OF CHEMICAL RESEARCH

Low-Bandgap Near-IR Conjugated Polymers/Molecules for Organic Electronics

(2015) Letian Dou et al.   CHEMICAL REVIEWS

[1,2,5]Selenadiazolo[3,4-b]pyrazines: Synthesis from 3,4-Diamino-1,2,5-selena­diazole and Generation of Persistent Radical Anions

(2015) Lidia S. Konstantinova et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Synthesis and Properties of the Heterospin (S1 = S2 = 1/2) Radical-Ion Salt Bis(mesitylene)molybdenum(I) [1,2,5]Thiadiazolo[3,4-c][1,2,5]thiadiazolidyl

(2015) Nikolay A. Pushkarevsky et al.   INORGANIC CHEMISTRY

Chalcogen Bonding in Solution: Interactions of Benzotelluradiazoles with Anionic and Uncharged Lewis Bases

(2015) Graham E. Garrett et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Direct Exchange of Oxygen and Selenium Atoms in the 1,2,5-Oxadiazoles and 1,2,5-Selenadiazoles by Action of Sulfur Monochloride

(2015) Lidia Konstantinova et al.   MOLECULES

Donor-acceptor coordination of anions by chalcogen atoms of 1,2,5-chalcogenadiazoles

(2015) N. A. Semenov et al.   RUSSIAN CHEMICAL BULLETIN

Direct synthesis of fused 1,2,5-selenadiazoles from 1,2,5-thiadiazoles

(2015) Lidia S. Konstantinova et al.   TETRAHEDRON LETTERS

Nuclear-weighted X-ray maximum entropy method – NXMEM

(2015) Sebastian Christensen et al.   Acta Crystallographica A-Foundation and Advances

SHELXT– Integrated space-group and crystal-structure determination

(2015) George M. Sheldrick   Acta Crystallographica A-Foundation and Advances

C(sp2)-Coupled Nitronyl Nitroxide and Iminonitroxide Diradicals

(2014) Svyatoslav Tolstikov et al.   CHEMISTRY-A EUROPEAN JOURNAL

1,2,5-Chalcogenadiazole-Annulated Tripyrazinoporphyrazines: Synthesis, Spectral Characteristics, and Influence of the Heavy Atom Effect on Their Photophysical Properties

(2014) Jan Svec et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Theoretical evaluation of diffusion coefficients of (Al2O3)n clusters in different bath gases

(2014) Alexander S. Sharipov et al.   EUROPEAN PHYSICAL JOURNAL D

Introductory Lecture: Mechanochemistry, a versatile synthesis strategy for new materials

(2014) William Jones et al.   FARADAY DISCUSSIONS

Donor-Acceptor Hybrids for Organic Electronics

(2014) Eva Espíldora et al.   ISRAEL JOURNAL OF CHEMISTRY

Charge-Transfer Complexes of Conjugated Polymers

(2014) Andrey Yu. Sosorev et al.   ISRAEL JOURNAL OF CHEMISTRY

What Currently Limits Charge Carrier Mobility in Crystals of Molecular Semiconductors?

(2014) Guillaume Schweicher et al.   ISRAEL JOURNAL OF CHEMISTRY

New fluorinated 1,2-diaminoarenes, quinoxalines, 2,1,3-arenothia(selena)diazoles and related compounds

(2014) Arkady G. Makarov et al.   JOURNAL OF FLUORINE CHEMISTRY

Accurate and Efficient Model Energies for Exploring Intermolecular Interactions in Molecular Crystals

(2014) Michael J. Turner et al.   Journal of Physical Chemistry Letters

Recent Developments in the Synthesis and Applications of 1,2,5-Thia- and Selenadiazoles. A Review

(2014) Lidia S. Konstantinova et al.   ORGANIC PREPARATIONS AND PROCEDURES INTERNATIONAL

Coordination of Halide and Chalcogenolate Anions to Heavier 1,2,5-Chalcogenadiazoles: Experiment and Theory

(2014) Nikolay A. Semenov et al.   ORGANOMETALLICS

1,2,5-Thiadiazole 2-oxides: selective synthesis, structural characterization, and electrochemical properties

(2014) Lidia S. Konstantinova et al.   TETRAHEDRON

Novel applications of functionalized 2,1,3-benzothiadiazoles for coordination chemistry and crystal engineering

(2014) Denis A. Bashirov et al.   RSC Advances

Diradicals

(2013) Manabu Abe   CHEMICAL REVIEWS

Mechanochemistry of inorganic and organic systems: what is similar, what is different?

(2013) Elena Boldyreva   CHEMICAL SOCIETY REVIEWS

Bis(toluene)chromium(I) [1,2,5]Thiadiazolo[3,4-c][1,2,5]thiadiazolidyl and [1,2,5]Thiadiazolo[3,4-b]pyrazinidyl: New Heterospin (S1 = S2 = 1/2) Radical-Ion Salts

(2013) Nikolay A. Semenov et al.   INORGANIC CHEMISTRY

Experimental and Computational Study on the Structure and Properties of Herz Cations and Radicals: 1,2,3-Benzodithiazolium, 1,2,3-Benzodithiazolyl, and Their Se Congeners

(2013) Alexander Yu. Makarov et al.   INORGANIC CHEMISTRY

Breathing Some New Life into an Old Topic: Chalcogen-Nitrogen π-Heterocycles as Electron Acceptors

(2013) Anton Lonchakov et al.   MOLECULES

Reactions of vicinal nitroamines with sulfur monochloride—a short and convenient route to fused 1,2,5-thiadiazoles and their N-oxides

(2013) Lidia S. Konstantinova et al.   TETRAHEDRON LETTERS

Density functional theory design and characterization of D–A–A type electron donors with narrow band gap for small-molecule organic solar cells

(2013) Dongmei Wang et al.   Computational and Theoretical Chemistry

Charge-transfer complexes: new perspectives on an old class of compounds

(2013) Katelyn P. Goetz et al.   Journal of Materials Chemistry C

Small Molecule Organic Semiconductors on the Move: Promises for Future Solar Energy Technology

(2012) Amaresh Mishra et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Covalent Mechanochemistry: Theoretical Concepts and Computational Tools with Applications to Molecular Nanomechanics

(2012) Jordi Ribas-Arino et al.   CHEMICAL REVIEWS

Contorted Tetrabenzocoronene Derivatives for Single Crystal Field Effect Transistors: Correlation between Packing and Mobility

(2012) Someshwar Pola et al.   CHEMISTRY OF MATERIALS

Tellurium-Nitrogen π-Heterocyclic Chemistry - Synthesis, Structure, and Reactivity Toward Halides and Pyridine of 3,4-Dicyano-1,2,5-telluradiazole

(2012) Nikolay A. Semenov et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

2,1,3-Benzothiadiazole and Derivatives: Synthesis, Properties, Reactions, and Applications in Light Technology of Small Molecules

(2012) Brenno A. D. Neto et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Calculating Off-Site Excitations in Symmetric Donor–Acceptor Systems via Time-Dependent Density Functional Theory with Range-Separated Density Functionals

(2012) Heidi Phillips et al.   Journal of Chemical Theory and Computation

Excited States of Dicyanovinyl-Substituted Oligothiophenes from Many-Body Green’s Functions Theory

(2012) Björn Baumeier et al.   Journal of Chemical Theory and Computation

Chalcogen-nitrogen π-heterocyclic radical anion salts: the synthesis and properties

(2012) N. P. Gritsan et al.   RUSSIAN CHEMICAL BULLETIN

First charge-transfer complexes between tetrathiafulvalene and 1,2,5-chalcogenadiazole derivatives: Design, synthesis, crystal structures, electronic and electrical properties

(2012) Nikolay A. Pushkarevsky et al.   SYNTHETIC METALS

Semiconducting π-Conjugated Systems in Field-Effect Transistors: A Material Odyssey of Organic Electronics

(2011) Chengliang Wang et al.   CHEMICAL REVIEWS

Pyrene-Based Materials for Organic Electronics

(2011) Teresa M. Figueira-Duarte et al.   CHEMICAL REVIEWS

Mechanochemistry: opportunities for new and cleaner synthesis

(2011) Stuart L. James et al.   CHEMICAL SOCIETY REVIEWS

Charge transfer in organic molecules for solar cells: theoretical perspective

(2011) Yi Zhao et al.   CHEMICAL SOCIETY REVIEWS

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Interaction of 1,2,5-Chalcogenadiazole Derivatives with Thiophenolate: Hypercoordination with Formation of Interchalcogen Bond versus Reduction to Radical Anion

(2011) Elizaveta A. Suturina et al.   JOURNAL OF PHYSICAL CHEMISTRY A

n-Type Organic Semiconductors in Organic Electronics

(2010) John E. Anthony et al.   ADVANCED MATERIALS

A survey of tellurium-centered secondary-bonding supramolecular synthons

(2010) Anthony F. Cozzolino et al.   COORDINATION CHEMISTRY REVIEWS

Visualisation and characterisation of voids in crystalline materials

(2010) Michael J. Turner et al.   CRYSTENGCOMM

Heterospin π-Heterocyclic Radical-Anion Salt: Synthesis, Structure, and Magnetic Properties of Decamethylchromocenium [1,2,5]Thiadiazolo[3,4-c][1,2,5]thiadiazolidyl

(2010) Nikolay A. Semenov et al.   INORGANIC CHEMISTRY

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

Chalcogenoarene semiconductors: new ideas from old materials

(2010) Lei Zhang et al.   JOURNAL OF MATERIALS CHEMISTRY

Redox properties and radical anions of fluorinated 2,1,3-benzothia(selena)diazoles and related compounds

(2010) Nadezhda V. Vasilieva et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Isolation of the 2,1,3-benzothiadiazolidyl radical anion: X-ray structure and properties of a [K(THF)][C6H4N2S] salt

(2010) Sergey N. Konchenko et al.   MENDELEEV COMMUNICATIONS

Synthesis of π-Extended Thiadiazole (Oxides) and Their Electronic Properties

(2010) Thomas Linder et al.   ORGANIC LETTERS

Application of the Gould–Jacobs reaction to 4-amino-2,1,3-benzoselenadiazole

(2010) Maroš Bella et al.   TETRAHEDRON

Consistent van der Waals Radii for the Whole Main Group

(2009) Manjeera Mantina et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Hirshfeld surface analysis

(2008) Mark A. Spackman et al.   CRYSTENGCOMM

Cobaltocenium [1,2,5]Thiadiazolo[3,4-c][1,2,5]thiadiazolidyl: Synthesis, Structure, and Magnetic Properties

(2008) Sergey N. Konchenko et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Diamagnetic π-Dimers of the [1,2,5]Thiadiazolo[3,4-c][1,2,5]thiadiazolidyl Radical Anion in the Crystalline State: Preparation and X-ray Crystal Structure of a [(Me2N)2CC(NMe2)2]2+[(C2N4S2)2]2– Salt

(2008) Nina P. Gritsan et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

All-Electron Scalar Relativistic Basis Sets for Third-Row Transition Metal Atoms

(2008) Dimitrios A. Pantazis et al.   Journal of Chemical Theory and Computation