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190123t20182019gw fod z000 0 eng d |
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|a DEGRU
|b eng
|e rda
|e pn
|c DEGRU
|d EBLCP
|d U3W
|d YDX
|d CUS
|d UKAHL
|d OCLCF
|d N$T
|d OCLCQ
|d CUY
|d OCLCQ
|d OCLCO
|d OCLCQ
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| 066 |
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|c (S
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| 019 |
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|a 1083677000
|a 1091570510
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|a 9783110568196
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| 020 |
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|a 3110568195
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| 020 |
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|a 3110566958
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| 020 |
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|a 9783110566956
|q (electronic bk.)
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|z 3110566753
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| 020 |
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|z 9783110566758
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| 024 |
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|a 10.1515/9783110568196
|2 doi
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1 |
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|a AU@
|b 000065661290
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| 035 |
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|a (OCoLC)1083626821
|z (OCoLC)1083677000
|z (OCoLC)1091570510
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|a QD462.6.D45
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|
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|a SCI013000
|2 bisacsh
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| 072 |
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|a SCI013070
|2 bisacsh
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| 082 |
0 |
4 |
|a 530.12
|2 23
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| 049 |
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|a UAMI
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| 245 |
0 |
0 |
|a Density Functional Theory :
|b Advances in Applications /
|c edited by Ponnadurai Ramasami.
|
| 264 |
|
1 |
|a Berlin ;
|a Boston :
|b De Gruyter,
|c [2018]
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| 264 |
|
4 |
|c ©2019
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| 300 |
|
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|a 1 online resource (247 pages)
|
| 336 |
|
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|a text
|b txt
|2 rdacontent
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| 337 |
|
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|a computer
|b c
|2 rdamedia
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| 338 |
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|a online resource
|b cr
|2 rdacarrier
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| 347 |
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|b PDF
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| 347 |
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|a text file
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| 546 |
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|a In English.
|
| 588 |
0 |
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|a Online resource; title from PDF title page (publisher's Web site, viewed 23. Jan 2019).
|
| 590 |
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|a eBooks on EBSCOhost
|b EBSCO eBook Subscription Academic Collection - Worldwide
|
| 650 |
|
0 |
|a Density functionals.
|
| 650 |
|
0 |
|a Quantum chemistry.
|
| 650 |
|
6 |
|a Fonctionnelles densité.
|
| 650 |
|
6 |
|a Chimie quantique.
|
| 650 |
|
7 |
|a SCIENCE
|x Chemistry
|x General.
|2 bisacsh
|
| 650 |
|
7 |
|a Density functionals.
|2 fast
|0 (OCoLC)fst00890362
|
| 650 |
|
7 |
|a Quantum chemistry.
|2 fast
|0 (OCoLC)fst01085086
|
| 700 |
1 |
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|a Ramasami, Ponnadurai,
|e editor.
|
| 700 |
1 |
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|a Abdallah, Hassan H.
|
| 700 |
1 |
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|a Alcolea Palafox, Mauricio.
|
| 700 |
1 |
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|a Choong, Yee Siew.
|
| 700 |
1 |
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|a Chowdhury, Suman.
|
| 700 |
1 |
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|a Dejene, Francis Birhanu.
|
| 700 |
1 |
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|a Dhar, Namrata.
|
| 700 |
1 |
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|a Gulati, Archa.
|
| 700 |
1 |
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|a Gümüs, Aysegül.
|
| 700 |
1 |
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|a Gümüs, Selçuk.
|
| 700 |
1 |
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|a Jadhav, Siddheshwar D.
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| 700 |
1 |
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|a Jana, Debnarayan.
|
| 700 |
1 |
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|a Kakkar, Rita.
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| 700 |
1 |
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|a Kavitha, Helen.
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| 700 |
1 |
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|a Kharkar, Prashant.
|
| 700 |
1 |
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|a Kuznetsov, Aleksey.
|
| 700 |
1 |
|
|a Meyer, Walter E.
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| 700 |
1 |
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|a Mulwa, Winfred Mueni.
|
| 700 |
1 |
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|a Nagaiyan, Sekar.
|
| 700 |
1 |
|
|a Ouma, Cecil.
|
| 700 |
1 |
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|a Parlak, Cemal.
|
| 700 |
1 |
|
|a Rhyman, Lydia.
|
| 700 |
1 |
|
|a Tursun, Mahir.
|
| 776 |
0 |
8 |
|i Print version:
|z 9783110566956
|
| 776 |
0 |
8 |
|i Print version:
|z 9783110566758
|
| 856 |
4 |
0 |
|u https://ebsco.uam.elogim.com/login.aspx?direct=true&scope=site&db=nlebk&AN=2012050
|z Texto completo
|
| 880 |
0 |
0 |
|6 505-00/(S
|t Frontmatter --
|t Preface --
|t Contents --
|t List of Contributing authors --
|t 1. Optical properties of monolayer BeC under an external electric field: A DFT approach /
|r Chowdhury, Suman / Jana, Debnarayan --
|t 2. Theoretical investigation of the derivatives of favipiravir (T-705) as potential drugs for Ebola virus /
|r Rhyman, Lydia / Tursun, Mahir / Abdallah, Hassan H. / Choong, Yee Siew / Parlak, Cemal / Kharkar, Prashant / Ramasami, Ponnadurai --
|t 3. Potential thermally activated delayed fluorescence properties of a series of 2,3-dicyanopyrazine based compounds /
|r Gümüş, Ayşegül / Gümüş, Selçuk --
|t 4. γ-Al2O3:Ce3+Cu2+ as a phosphor material; DFT+U and experimental approach --
|t 5. A DFT perspective analysis of optical properties of defected germanene mono-layer /
|r Dhar, Namrata / Jana, Debnarayan --
|t 6. DFT studies on storage and adsorption capacities of gases on MOFs /
|r Gulati, Archa / Kakkar, Rita --
|t 7. Metastability of the boron-vacancy complex in silicon: Insights from hybrid functional calculations /
|r Ouma, Cecil N.M. / Meyer, Walter E. --
|t 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 /
|r Kavitha, Helen P. / Rhyman, Lydia / Ramasami, Ponnadurai --
|t 9. Complexes between core-modified porphyrins ZnP(X)4 (X = P and S) and small semiconductor nanoparticle Zn6S6: are they possible/
|r Kuznetsov, Aleksey E. --
|t 10. DFT computations on vibrational spectra: Scaling procedures to improve the wavenumbers /
|r Palafox, M. Alcolea --
|t 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 /
|r Jadhav, Siddheshwar D. / Ramasami, Ponnadurai / Sekar, Nagaiyan --
|t Index
|
| 938 |
|
|
|a EBSCOhost
|b EBSC
|n 2012050
|
| 938 |
|
|
|a YBP Library Services
|b YANK
|n 14713156
|
| 938 |
|
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|a YBP Library Services
|b YANK
|n 16005555
|
| 938 |
|
|
|a De Gruyter
|b DEGR
|n 9783110568196
|
| 938 |
|
|
|a ProQuest Ebook Central
|b EBLB
|n EBL5674957
|
| 938 |
|
|
|a Askews and Holts Library Services
|b ASKH
|n BDZ0039994306
|
| 994 |
|
|
|a 92
|b IZTAP
|
