Author: And Rafael Viruela

0000000001109783

AUTHOR

And Rafael Viruela

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Influence of Benzoannulation on the Molecular and Electronic Structures of Tetracyanoquinodimethanes

1996

The molecular and electronic structures of TCNQ and its π-extended derivatives benzo-TCNQ and TCAQ have been investigated using the semiempirical PM3 method and ab initio 6-31G* calculations. The s...

Computational chemistryChemistryGeneral EngineeringAb initioPhysical and Theoretical ChemistryThe Journal of Physical Chemistry

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PEPhysical Sciences and Engineering
- PE2Fundamental Constituents of Matter
  - PE2_1Theory of fundamental interactions
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  - PE2_6Nuclear, hadron and heavy ion physics
  - PE2_8Gas and plasma physics
  - PE2_5Classical and quantum physics of gravitational interactions
  - PE2_7Nuclear and particle astrophysics
  - PE2_9 Electromagnetism
  - PE2_10Atomic, molecular physics
  - PE2_11Ultra-cold atoms and molecules
  - PE2_18Equilibrium and non-equilibrium statistical mechanics: steady states and dynamics
  - PE2_14Lasers, ultra-short lasers and laser physics
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  - PE2_13Quantum optics and quantum information
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- PE1Mathematics
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  - PE11_12Semi-conducting and magnetic materials engineering
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LSLife Sciences
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SHSocial Sciences and Humanities
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