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فیلتر نتایج
Reza Ghiasi
نتایج 31 تا 40 از مجموع 85
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Journal Paper
Nalidixic Acid Adsorption on the Surface of Boron Nitride Nanocluster (B12N12): DFT Studies
Authors:
Mohammad Reza Jalali Sarvestani
،
Zohreh Doroudi
Year 1399
Publish place:
Advanced Journal of Chemistry-Section A Issue 6، Vol 3
Pages:
10
| Language: English
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Conference Paper
Investigation of Electronic Properties and Natural Bond Orbital Analysis of N-hydroxyurea Drug under B12N12 Nanocage Field
Authors:
Arefeh Omid
،
Rahim Esmkhani
Year 1399
Publish place:
International Conference on Nanotechnologu & Nanoscience
Pages:
11
| Language: English
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Journal Paper
Effect of Ni and Pd Transition Metal Functionalized on Interaction of Mercaptopyridine with B12N12 Nanocage: NBO, AIM, DFT, TD-DFT Study
Authors:
M. Rezaei‒Sameti
،
M. Jafari
Year 1399
Publish place:
Chemical Methodologies Issue 4، Vol 4
Pages:
20
| 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
Tuning the N‧ ‧ ‧ H H-bonding strength in Triazine-(HF)n(HCl)3-n (n=0-3) complexes
Authors:
Hossein Roohi
،
Alireza Safari
Year 1398
Publish place:
6th National Congress on Strategic Research in Chemical and Chemical Engineering with Emphasis on Iranian Native Technologies
Pages:
7
| Language: English
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Conference Paper
Theoretical Study of Structural and Electronic Properties in B12N12: Exchange , correlation energy and NBO analysis
Authors:
Rahim Esmkhani
Year 1398
Publish place:
National Conference on Nanosciences and Nanosciences
Pages:
7
| Language: English
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Conference Paper
بررسی نظری جذب فرمالدهید برروی نانوصفحه های آلومینیوم نیترید برمبنای روش های DFT ومطالعه اثردوپه کردن عناصرB و Ga
Authors:
مریم جلالی
،
ابراهیم نعمتی کنده
،
یاسر محسنی بدل آبادی
Year 1398
Publish place:
4th Iranian Applied Chemistry Conference
Pages:
6
| Language: Persian
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Journal Paper
DFT calculations of the neighboring groups effects on cheletropic reaction of 2,5-Dihydrothiophene sulfone
Authors:
Zahra Javanshir
،
Saeed Jameh-Bozorghi
،
Parasto Peyki
Year 1397
Publish place:
Advanced Journal of Chemistry-Section A Issue 1، Vol 1
Pages:
10
| Language: English
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Journal Paper
Computational Investigation of β-hydrogen Elimination in the (C2X5)2B(C2H5); X=H, F, Cl, Br Molecules
Authors:
Saideh Ghorbaninezhad
،
Reza Ghiasi
Year 1398
Publish place:
Chemical Methodologies Issue 1، Vol 4
Pages:
12
| Language: English
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Journal Paper
The AIM, RDG, NBO, Quantum and Structural Study of Adsorption of Phosgene Gas on the Surface of Pristine and Al, P Doped Ga12N12 Nano Cluster: A DFT Method
Authors:
P. Hosseini
،
Mahdi Rezaei Sameti
Year 1398
Publish place:
Chemical Methodologies Issue 5، Vol 3
Pages:
19
| Language: English
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نتایج 31 تا 40 از مجموع 85
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