The reductive coupling of dinitrogen

Reductive Coupling and Loss of N2 from Magnesium Diazomethane Derivatives

(2018) Jiliang Zhou et al.   CHEMISTRY-A EUROPEAN JOURNAL

Nitrogen fixation and reduction at boron

(2018) Marc-André Légaré et al.   SCIENCE

Synthesis of AgN5 and its extended 3D energetic framework

(2018) Chengguo Sun et al.   Nature Communications

Synthesis and Characterization of cyclo-Pentazolate Salts of NH4+, NH3OH+, N2H5+, C(NH2)3+, and N(CH3)4+

(2018) Chen Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron

(2017) Holger Braunschweig et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Alkaline-earth metal (Mg) polynitrides at high pressure as possible high-energy materials

(2017) Shuli Wei et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Synthesis and characterization of the pentazolate anioncyclo-N5ˉ in (N5)6(H3O)3(NH4)4Cl

(2017) Chong Zhang et al.   SCIENCE

Software update: the ORCA program system, version 4.0

(2017) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

Examining the relationship between coordination mode and reactivity of dinitrogen

(2017) Richard J. Burford et al.   Nature Reviews Chemistry

Stable Calcium Nitrides at Ambient and High Pressures

(2016) Shuangshuang Zhu et al.   INORGANIC CHEMISTRY

SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory

(2016) Yang Guo et al.   JOURNAL OF CHEMICAL PHYSICS

A Practicable Real-Space Measure and Visualization of Static Electron-Correlation Effects

(2015) Stefan Grimme et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

SHELXT– Integrated space-group and crystal-structure determination

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

Cyclic (Alkyl)(Amino)Carbenes (CAACs): Stable Carbenes on the Rise

(2014) Michèle Soleilhavoup et al.   ACCOUNTS OF CHEMICAL RESEARCH

Isolation of a Neutral Boron-Containing Radical Stabilized by a Cyclic (Alkyl)(Amino)Carbene

(2014) Philipp Bissinger et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Synthesis and Reactivity of a CAAC-Aminoborylene Adduct: A Hetero-Allene or an Organoboron Isoelectronic with Singlet Carbenes

(2014) Fatme Dahcheh et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Mechanism of Nitrogen Fixation by Nitrogenase: The Next Stage

(2014) Brian M. Hoffman et al.   CHEMICAL REVIEWS

NBO 6.0: Natural bond orbital analysis program

(2013) Eric D. Glendening et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Photochemistry of Ions at D-region Altitudes of the Ionosphere: A Review

(2013) A. V. Pavlov   SURVEYS IN GEOPHYSICS

1,1′-Azobis(tetrazole): A Highly Energetic Nitrogen-Rich Compound with a N10Chain

(2011) Thomas M. Klapötke et al.   INORGANIC CHEMISTRY

Natural bond orbital methods

(2011) Eric D. Glendening et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

The ORCA program system

(2011) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

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

A Dimeric Magnesium(I) Compound as a Facile Two-Center/Two-Electron Reductant

(2009) Simon J. Bonyhady et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Synthesis of Functionalized Tetrazenes as Energetic Compounds

(2009) Johannes Heppekausen et al.   JOURNAL OF ORGANIC CHEMISTRY

Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange

(2008) Frank Neese et al.   CHEMICAL PHYSICS

Prediction of molecular properties and molecular spectroscopy with density functional theory: From fundamental theory to exchange-coupling

(2008) Frank Neese   COORDINATION CHEMISTRY REVIEWS