Related references
Note: Only part of the references are listed.Towards the online computer-aided design of catalytic pockets
Laura Falivene et al.
NATURE CHEMISTRY (2019)
Do Diradicals Behave Like Radicals?
Thijs Stuyver et al.
CHEMICAL REVIEWS (2019)
A chemical reaction controlled by light-activated molecular switches based on hetero-cyclopentanediyls
Jonas Bresien et al.
CHEMICAL SCIENCE (2019)
Software update: the ORCA program system, version 4.0
Frank Neese
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2018)
Group 15 biradicals: synthesis and reactivity of cyclobutane-1,3-diyl and cyclopentane-1,3-diyl analogues
Axel Schulz
DALTON TRANSACTIONS (2018)
Calculations of current densities for neutral and doubly charged persubstituted benzenes using effective core potentials
Markus Rauhalahti et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
The stability of biradicaloid versus closed-shell [E(μ-XR)]2 (E = P, As; X = N, P, As) rings. Does aromaticity play a role?
Rafael Grande-Aztatzi et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements
Alexander Hinz et al.
CHEMICAL SCIENCE (2016)
Calculations of magnetically induced current densities: theory and applications
Dage Sundholm et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2016)
Stable Heterocyclopentane-1,3-diyls
Alexander Hinz et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
Cyclic Group 15 Radical Cations
Angelika Brueckner et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls
Alexander Hinz et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
Theory and practice of uncommon molecular electronic configurations
Ganna Gryn'ova et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2015)
Activation of Small Molecules by Phosphorus Biradicaloids
Alexander Hinz et al.
CHEMISTRY-A EUROPEAN JOURNAL (2014)
On The Steric Hindrance of Bulky Substituents - Determination of Their Cone Angles
Axel Schulz
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE (2014)
Unusual Inorganic Biradicals: A Theoretical Analysis
Evangelos Miliordos et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)
The chemistry of localized singlet 1,3-diradicals (biradicals): from putative intermediates to persistent species and unusual molecules with a π-single bonded character
Manabu Abe et al.
CHEMICAL SOCIETY REVIEWS (2012)
[P(mu-NTer)](2): A Biradicaloid That Is Stable at High Temperature
Torsten Beweries et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
Calculation of spin-current densities using gauge-including atomic orbitals
Stefan Taubert et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Effect of the Damping Function in Dispersion Corrected Density Functional Theory
Stefan Grimme et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
The gauge including magnetically induced current method
Heike Fliegl et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Molecular Double-Bond Covalent Radii for Elements Li-E112
Pekka Pyykko et al.
CHEMISTRY-A EUROPEAN JOURNAL (2009)
1,2-diphosphinobenzene as a synthon for the 1,2,3-triphospha- and 2-arsa-1,3-diphosphaindenyl anions and a stable organo derivative of the P-8 unit of Hittorf's phosphorus
Craig P. Butts et al.
CHEMICAL COMMUNICATIONS (2008)
Self-association of the N-methyl benzotellurodiazolylium cation: implications for the generation of super-heavy atom radicals
Maarit Risto et al.
CHEMICAL COMMUNICATIONS (2008)
Modular chiral bidentate phosphonites: Design, synthesis, and application in catalytic asymmetric hydroformylation reactions
Baoguo Zhao et al.
CHEMISTRY-A EUROPEAN JOURNAL (2008)
Formation and structure of the [(1,2-C6H4P2Sb)(2)](4-) ion: Implications for an extended family of isoelectronic main-group radicals
Felipe Garcia et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)
Stretching bonds in main group element compounds - Borderlines between biradicals and closed-shell species
Frank Breher
COORDINATION CHEMISTRY REVIEWS (2007)
Which NICS aromaticity index for planar π rings is best?
H Fallah-Bagher-Shaidaei et al.
ORGANIC LETTERS (2006)
Second hyperpolarizability (γ) of singlet diradical system:: Dependence of γ on the diradical character
M Nakano et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
F Weigend et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Calculation of current densities using gauge-including atomic orbitals
J Jusélius et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Parallel implementation of the CI-vector evaluation in full CI/CAS-SCF
M Klene et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Share Paper
