UID:
edocfu_9958998914802883
Format:
1 online resource (247 p.)
ISBN:
9783110568196
Note:
Frontmatter --
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Preface --
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Contents --
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List of Contributing authors --
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1. Optical properties of monolayer BeC under an external electric field: A DFT approach /
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2. Theoretical investigation of the derivatives of favipiravir (T-705) as potential drugs for Ebola virus /
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3. Potential thermally activated delayed fluorescence properties of a series of 2,3-dicyanopyrazine based compounds /
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4. γ-Al2O3:Ce3+Cu2+ as a phosphor material; DFT+U and experimental approach --
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5. A DFT perspective analysis of optical properties of defected germanene mono-layer /
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6. DFT studies on storage and adsorption capacities of gases on MOFs /
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7. Metastability of the boron-vacancy complex in silicon: Insights from hybrid functional calculations /
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8. Molecular structure and vibrational spectra of 2-(4-bromophenyl)-3-(4-hydroxyphenyl) 1,3-thiazolidin-4-one and its selenium analogue: Insights using HF and DFT methods /
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9. Complexes between core-modified porphyrins ZnP(X)4 (X = P and S) and small semiconductor nanoparticle Zn6S6: are they possible? /
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10. DFT computations on vibrational spectra: Scaling procedures to improve the wavenumbers /
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11. Substituent effects on linear and nonlinear optical properties of fluorescent (E)-2-(4-halophenyl)-7- arlstyrylimidazo[1,2-A] pyridine: spectroscopic and computational methods /
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Index
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In English.
Additional Edition:
ISBN 9783110566956
Additional Edition:
ISBN 9783110566758
Language:
English
DOI:
10.1515/9783110568196
URL:
https://doi.org/10.1515/9783110568196
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