Publications by authors named "Kevin Reiter"

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Synthesis and Reactivity of Bis(silylene)-Coordinated Calcium and Divalent Lanthanide Complexes.
Xiaofei Sun, Thomas Simler, Kevin Reiter, Florian Weigend, Peter W Roesky

Chemistry· November 2020

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TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations.
Sree Ganesh Balasubramani, Guo P Chen, Sonia Coriani, Michael Diedenhofen, Marius S Frank, Kevin Reiter

J Chem Phys· May 2020

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An Efficient Coupled-Perturbed Kohn-Sham Implementation of NMR Chemical Shift Computations with Local Hybrid Functionals and Gauge-Including Atomic Orbitals.
Caspar Jonas Schattenberg, Kevin Reiter, Florian Weigend, Martin Kaupp

J Chem Theory Comput· February 2020

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Size Matters: From Two-Dimensional Au -Tl Metallopolymers to Molecular Complexes by Simple Variation of the Steric Demand.
Tim P Seifert, Nicolai D Knoefel, Thomas J Feuerstein, Kevin Reiter, Sergei Lebedkin

Chemistry· March 2019

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[Co@Sn Sb ] : An Off-Center Endohedral 12-Vertex Cluster.
Robert J Wilson, Florian Hastreiter, Kevin Reiter, Philipp Büschelberger, Robert Wolf

Angew Chem Int Ed Engl· November 2018

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[Hg Te (Te ) ] : A Heavy Metal Porphyrinoid Embedded in a Lamellar Structure.
Carsten Donsbach, Kevin Reiter, Dage Sundholm, Florian Weigend, Stefanie Dehnen

Angew Chem Int Ed Engl· July 2018

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Multicomponent reactions provide key molecules for secret communication.
Andreas C Boukis, Kevin Reiter, Maximiliane Frölich, Dennis Hofheinz, Michael A R Meier

Nat Commun· April 2018

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(GeP): a binary analogue of P as a precursor to the ternary cluster anion [Cd(GeP)].
Stefan Mitzinger, Jascha Bandemehr, Kevin Reiter, J Scott McIndoe, Xiulan Xie

Chem Commun (Camb)· February 2018

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Calculation of Magnetic Shielding Constants with meta-GGA Functionals Employing the Multipole-Accelerated Resolution of the Identity: Implementation and Assessment of Accuracy and Efficiency.
Kevin Reiter, Fabian Mack, Florian Weigend

J Chem Theory Comput· January 2018

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An NHC-phosphinidenyl as a synthon for new group 13/15 compounds.
Otfried Lemp, Markus Balmer, Kevin Reiter, Florian Weigend, Carsten von Hänisch

Chem Commun (Camb)· July 2017

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Vibrational circular dichroism spectra for large molecules and molecules with heavy elements.
Kevin Reiter, Michael Kühn, Florian Weigend

J Chem Phys· February 2017

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A Boron-Fluorinated Tris(pyrazolyl)borate Ligand ((F) Tp*) and Its Mono- and Dinuclear Copper Complexes [Cu((F) Tp*)2 ] and [Cu2 ((F) Tp*)2 ]: Synthesis, Structures, and DFT Calculations.
Timo Augenstein, Franziska Dorner, Kevin Reiter, Hanna E Wagner, Delphine Garnier

Chemistry· June 2016

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[(Pb6I8){Mn(CO)5}6](2-): an octahedral (M6X8)-like cluster with inverted bonding.
Silke Wolf, Kevin Reiter, Florian Weigend, Wim Klopper, Claus Feldmann

Inorg Chem· April 2015

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