A comparison of the theoretical and experimental electron density distribution in the cyanide and thiocyanate group
- 1 June 1977
- journal article
- Published by Elsevier in Chemical Physics
- Vol. 22 (2) , 175-181
- https://doi.org/10.1016/0301-0104(77)87001-8
Abstract
No abstract availableKeywords
This publication has 16 references indexed in Scilit:
- Calculation of dynamic electron density distributions from static molecular wave functionsActa Crystallographica Section A, 1977
- An electron density study of NaCN.2H2O at 150 KActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1977
- Calculation of the static and dynamic difference densities for thioureaChemical Physics Letters, 1976
- Direct calculation of dynamic densitiesActa Crystallographica Section A, 1976
- Theoretical calculation of the time-averaged electron density distribution for vibrating ethyne molecules in a model crystal structureActa Crystallographica Section A, 1974
- The effect of molecular vibrations on apparent bond lengthsActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1971
- SCF wavefunction for the ground state of CN− and the change of the correlation energy in some simple protonation processesChemical Physics Letters, 1969
- Computation of Molecular Properties and StructureIBM Journal of Research and Development, 1968
- On the rigid-body motion of molecules in crystalsActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1968
- On the least-squares analysis of the rigid body vibrations of non-centrosymmetrical moleculesActa Crystallographica, 1963