L. S. Khaikin, N. Vogt, A. N. Rykov, O. E. Grikina, J. Vogt, I. V. Kochikov, E. S. Ageeva, I. F. Shishkov, “The equilibrium molecular structure of 3-cyanopyridine according to gas-phase electron diffraction and microwave data and the results of quantum-chemical calculations”, Mendeleev Commun., 28:3 (2018), 236

Эта публикация цитируется в 13 статьях

Communications

The equilibrium molecular structure of 3-cyanopyridine according to gas-phase electron diffraction and microwave data and the results of quantum-chemical calculations

L. S. Khaikin^a, N. Vogt^ab, A. N. Rykov^a, O. E. Grikina^a, J. Vogt^b, I. V. Kochikov^c, E. S. Ageeva^a, I. F. Shishkov^a

^a Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow, Russian Federation
^b Section of Chemical Information Systems, University of Ulm, Ulm, Germany
^c Scientific Research Computer Center, M.V. Lomonosov Moscow State University, Moscow, Russian Federation

$Graphic abstract: The equilibrium molecular structure of 3-cyanopyridine according to gas-phase electron diffraction and microwave data and the results of quantum-chemical calculations$

Аннотация: The equilibrium structure of the 3-cyanopyridine molecule was experimentally obtained for the first time. The calculations performed by the CCSD(T) method show a good agreement with the results of the electron diffraction and microwave data analysis.

Язык публикации: английский

DOI: 10.1016/j.mencom.2018.05.002