Analytical expressions of the free energy derivatives for molecules in solution. Application to the geometry optimization
- 25 February 1995
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 56 (S29), 695-702
- https://doi.org/10.1002/qua.560560876
Abstract
No abstract availableKeywords
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- COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradientJournal of the Chemical Society, Perkin Transactions 2, 1993
- HONDO: A General Atomic and Molecular Electronic Structure SystemPublished by Springer Nature ,1991
- On the conformational varieties of acetylcholine in the crystals of its halidesActa crystallographica Section B, Structural science, crystal engineering and materials, 1978