Concepedia

Molecular structure, FT IR, NMR, UV, NBO and HOMO–LUMO of 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile by DFT/B3LYP and PBEPBE methods with LanL2DZ and 6-311 ++G(d,2p) basis sets

Mostafa Khajehzadeh, Majid Moghadam

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2017 · 55 citations · 35 references

DOI

Concepts

References

35

Harmonic Vibrational Frequencies:  An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors

Anthony P. Scott, Leo Radom · The Journal of Physical Chemistry · 1996 · 6.7K citations

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Short-term SSRI treatment normalises amygdala hyperactivity in depressed patients

Beata R. Godlewska, Ray Norbury, Sudhakar Selvaraj et al. · Psychological Medicine · 2012 · 250 citations · Full text

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Spectroscopic properties, NLO, HOMO–LUMO and NBO analysis of 2,5-Lutidine

Marimuthu Govindarajan, M. Karabacak · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2012 · 138 citations

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DFT (B3LYP/LanL2DZ and B3LYP/6311G+(d,p)) comparative vibrational spectroscopic analysis of organic–inorganic compound bis(4-acetylanilinium) tetrachlorocuprate(II)

A. Abkari, I. Chaabane, K. Guidara · Physica E Low-dimensional Systems and Nanostructures · 2016 · 130 citations

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Lesions of Ventrolateral Prefrontal or Anterior Orbitofrontal Cortex in Primates Heighten Negative Emotion

Carmen Agustín‐Pavón, Katrin Braesicke, Yoshiro Shiba et al. · Biological Psychiatry · 2012 · 93 citations

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