Quantum chemical modelling of electronic charge density distribution in several tetrathiafulvalene derivatives
- 1 November 1997
- journal article
- Published by Elsevier in Materials Chemistry and Physics
- Vol. 51 (2) , 135-141
- https://doi.org/10.1016/s0254-0584(97)80282-9
Abstract
No abstract availableKeywords
This publication has 10 references indexed in Scilit:
- Linear optical properties of NLO polymersPure and Applied Optics: Journal of the European Optical Society Part A, 1996
- Studies of the solvent effect on the molecular hyperpolarisabilities of organic moleculesAdvanced Materials for Optics and Electronics, 1996
- Third-order Nonlinear Optical Properties of Ethylenic Tetrathiafulvalene DerivativesJournal of Modern Optics, 1995
- Third-order nonlinear optical susceptibility of acetylenic analogues of tetrathiafulvaleneSynthetic Metals, 1993
- Optimization of parameters for semiempirical methods I. MethodJournal of Computational Chemistry, 1989
- The determination of molecular structures by density functional theory. The evaluation of analytical energy gradients by numerical integrationThe Journal of Chemical Physics, 1988
- Bonded-atom fragments for describing molecular charge densitiesTheoretical Chemistry Accounts, 1977
- The Convergence of a Class of Double-rank Minimization AlgorithmsIMA Journal of Applied Mathematics, 1970
- A new approach to variable metric algorithmsThe Computer Journal, 1970
- Self-Consistent Orbitals for RadicalsThe Journal of Chemical Physics, 1954