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فیلتر نتایج
نتایج 11 تا 20 از مجموع 48
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Journal Paper
Theoretical Study of M۲X۴ (M=C, X=H, F, and Cl) Structures by using HOMO, LUMO, NBO, and NMR analysis
Authors:
Golrokh mahmoudzadeh
Year 1400
Publish place:
International Journal of New Chemistry Issue 2، Vol 8
Pages:
24
| Language: English
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Journal Paper
Molecular Structure, FT-IR Spectra, MEP and HOMO-LUMO Investigation of ۲-(۴-Fluorophenyl)-۵-phenyl-۱, ۳,۴-oxadiazole Using DFT Theory Calculations
Authors:
Sunil Dhonnar
،
Nutan Sadgir
،
Vishnu Adole
،
Bapu Jagdale
Year 1400
Publish place:
Advanced Journal of Chemistry-Section A Issue 3، Vol 4
Pages:
11
| Language: English
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Journal Paper
Thermodynamic and reactivity descriptors Studies on the interaction of Flutamide anticancer drug with nucleobases: A computational view
Authors:
Maedeh Kamel
،
Kamal Mohammadifard
Year 1400
Publish place:
Chemical Review and Letters Issue 1، Vol 4
Pages:
12
| Language: English
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Conference Paper
بررسی و مطالعه جذب مولکول NO بر روی نانو خوشه های فلزی +Cu6Sc و Cu5Sc
Authors:
عبدالحکیم پنق
،
علیرضا حنفی
،
فاطمه نوروزی
Year 1399
Publish place:
National Conference on Chemical Engineering and Nanotechnology
Pages:
10
| Language: Persian
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Journal Paper
Theoretical Evaluation of 5, 6-Diaroylisoindoline-1,3-dione as Potential Carcinogenic Kinase PAK1 Inhibitor: DFT Calculation, Molecular Docking Study and ADMET Prediction
Authors:
- -
،
- -
،
- -
،
- -
Year 1400
Publish place:
International journal of Advanced Biological and Biomedical Research Issue 1، Vol 9
Pages:
28
| Language: English
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Journal Paper
The effect of halogen atoms at propanoate anion on thermo physical, vibrational spectroscopy, chemical reactivity, biological properties of morpholinium propionate Ionic Liquid
Authors:
Sunanda Paul
،
Ajoy Kumer
،
Md. Nuruzzaman Sarker
،
Mohammad Jahidul Islam
Year 1399
Publish place:
International journal of Advanced Biological and Biomedical Research Issue 2، Vol 8
Pages:
16
| Language: English
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Journal Paper
Spectroscopic Behavior, FMO, NBO Analysis of Pethidine and Diclofenac Drugs by Theoretical Approach
Authors:
Mostafa Khajehzadeh
،
Sedigheh Rahmaniasl
Year 1399
Publish place:
Advanced Journal of Chemistry-Section A Issue 4، Vol 3
Pages:
17
| Language: English
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Conference Paper
Theoretical investigation of application of combining pristine C60 and doped C60 with Silicon and Germanium atoms for solar cells ; A DFT study
Authors:
Leila Hojatkashani
Year 1398
Publish place:
The 5th International Conference on Science & Technology with Sustainable development approach
Pages:
12
| Language: English
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Journal Paper
The Activity of Alkyl Groups in Morpholinium Cation on Chemical Reactivity, and Biological Properties of Morpholinium Tetrafluroborate Ionic Liquid Using the DFT Method
Authors:
Mohammad Jahidul Islam
،
Ajoy Kumer
،
Sunanda Paul
،
Md. Nuruzzaman Sarker
Year 1398
Publish place:
Chemical Methodologies Issue 2، Vol 4
Pages:
13
| Language: English
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Journal Paper
Reviewing of Synthesis and Computational Studies of Pyrazolo Pyrimidine Derivatives
Authors:
Hussein Shaban Hussein Mohamed
،
Sayed Abdelkader Ahmed
Year 1398
Publish place:
Journal of Chemical Reviews Issue 3، Vol 1
Pages:
50
| Language: English
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نتایج 11 تا 20 از مجموع 48
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