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1. |
Record Nr. |
UNINA9910467474003321 |
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Titolo |
Density functional theory : advances in applications / / edited by Ponnadurai Ramasami |
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Pubbl/distr/stampa |
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Berlin ; ; Boston, Massachusetts : , : De Gruyter, , [2019] |
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©2019 |
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ISBN |
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3-11-056695-8 |
3-11-056819-5 |
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Descrizione fisica |
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1 online resource (248 pages) |
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Disciplina |
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Soggetti |
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Density wave theory |
Electronic books. |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Nota di contenuto |
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Frontmatter -- Preface -- Contents -- List of Contributing authors -- 1. Optical properties of monolayer BeC under an external electric field: A DFT approach / Chowdhury, Suman / Jana, Debnarayan -- 2. Theoretical investigation of the derivatives of favipiravir (T-705) as potential drugs for Ebola virus / Rhyman, Lydia / Tursun, Mahir / Abdallah, Hassan H. / Choong, Yee Siew / Parlak, Cemal / Kharkar, Prashant / Ramasami, Ponnadurai -- 3. Potential thermally activated delayed fluorescence properties of a series of 2,3-dicyanopyrazine based compounds / Gümüş, Ayşegül / Gümüş, Selçuk -- 4. γ-Al2O3:Ce3+Cu2+ as a phosphor material; DFT+U and experimental approach -- 5. A DFT perspective analysis of optical properties of defected germanene mono-layer / Dhar, Namrata / Jana, Debnarayan -- 6. DFT studies on storage and adsorption capacities of gases on MOFs / Gulati, Archa / Kakkar, Rita -- 7. Metastability of the boron-vacancy complex in silicon: Insights from hybrid functional calculations / Ouma, Cecil N.M. / Meyer, Walter E. -- 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 / Kavitha, Helen P. / Rhyman, Lydia / Ramasami, Ponnadurai -- 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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Kuznetsov, Aleksey E. -- 10. DFT computations on vibrational spectra: Scaling procedures to improve the wavenumbers / Palafox, M. Alcolea -- 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 / Jadhav, Siddheshwar D. / Ramasami, Ponnadurai / Sekar, Nagaiyan -- Index |
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2. |
Record Nr. |
UNINA9910672393703321 |
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Titolo |
Nuevos enfoques para el estudio de las relaciones internacionales de Colombia / / Arlene B. Tickner, Sebastián Bitar, (edición académica y compilación) |
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Pubbl/distr/stampa |
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Bogotá, D.C., Colombia : , : Universidad de los Andes, , 2017 |
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ISBN |
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1-5129-5880-8 |
958-774-547-7 |
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Descrizione fisica |
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1 online resource (382 pages) : illustrations |
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Collana |
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Altri autori (Persone) |
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TicknerArlene B |
BitarSebastián |
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Disciplina |
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Soggetti |
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International cooperation |
Diplomatic relations |
Cooperación internacional |
Relaciones diplomaticas |
Libros electronicos. |
Colombia Foreign relations |
Colombia Relaciones internacionales |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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