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Journal of Computational Chemistry|May 11, 2006
DIESEL-MP2: a new program to perform large-scale multireference-MP2 computationsPatrick Musch, Bernd Engels
The Journal of Physical Chemistry. A|November 3, 2006
Computer-aided design of promising photochemical alkoxy radical precursorsMario Arnone, Bernd Engels
Chemistry (Weinheim an Der Bergstrasse, Germany)|December 18, 2003
Valence charge concentrations, electron delocalization and beta-agostic bonding in d0 metal alkyl complexesWolfgang Scherer, Peter Sirsch, Dmitry Shorokhov, et al.
Dalton Transactions (Cambridge, England : 2003)|May 15, 2012
Postfunctionalization of periodic mesoporous silica SBA-1 with magnesium(II) and iron(II) silylamidesThomas Deschner, Michael Klimpel, Maxim Tafipolsky, et al.
Chemical Communications (Cambridge, England)|July 13, 2006
Elucidation of the bonding in Mn(eta2-SiH) complexes by charge density analysis and T1 NMR measurements: asymmetric oxidative addition and anomeric effects at siliconWolfgang Scherer, Georg Eickerling, Maxim Tafipolsky, et al.
Angewandte Chemie (International Ed. in English)|May 2, 2018
Which Structural Elements Are Relevant for the Efficacy of Neocarzinostatin?Patrick W Musch, Bernd Engels
Physical Chemistry Chemical Physics : PCCP|June 10, 2010
A novel method to measure diffusion coefficients in porous metal-organic frameworksOlexandra Zybaylo, Osama Shekhah, Hui Wang, et al.
The Journal of Chemical Physics|April 26, 2005
An ab initio study of the vibronic, spin-orbit, and magnetic hyperfine structure in the X2Pi electronic state of NCOMilena Mladenović, Miljenko Perić, Bernd Engels
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