Chemistry
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20 What are modern approaches to describe and/or quantify aromaticity? Dec 2 '16
11 Would cerium(III) in solution be oxidized to cerium(IV) in ESI mass spectroscopy? Oct 2 '17
11 What equipment is used for two-dimensional IR spectroscopy and how can the molecular structure of a compound be resolved? Oct 19 '16
10 Boltzmann Distribution in Molecular Dynamics Simulation? Sep 15 '17
9 How to perform molecular dynamics simulations of charged systems? Feb 21 '17
9 Do non-ergodic chemical reactions exist? Oct 15 '17
8 Where does computational chemistry overlap with organic chemistry? Oct 11 '16
8 How to specify a different isotope in the ORCA quantum chemistry program? Nov 30 '16
8 NMR calculations with NWChem quantum chemistry program Nov 17 '16
7 What is the rotational symmetry number used to calculate the rotational entropy from an ORCA frequency calculation? Nov 16 '16
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