International Journal of New Chemistry

1. DFT Study, Physicochemical, Molecular Docking, and ADMET Predictions of some Modified Uridine Derivatives

Articles in Press, Accepted Manuscript, Available Online from 22 November 2020

10.22034/ijnc.2020.131337.1124

Sarkar M. A. Kawsar; Md Z.H. Bulbul; Mohammed A. Hosen; Jannatul Ferdous; Tasneem S. Chowdhury; Md M.H. Misbah

2. TATB Interaction with Carbon Nanocone and Nanocone Sheet: A Comprehensive Computational Study

Volume 7, Issue 1, Winter 2020, Pages 74-86

10.22034/ijnc.2020.37718

Sheila Kumer; Maryam Ebrahimikia; Mohammad Yari

3. Reaction Between Thiouracil Derivatives and Chloroasetic Acid in Gas and Soluble Phases:A Theoretical Study

Volume 6, Issue 3, Summer 2019, Pages 178-189

10.22034/ijnc.2019.108651.1052

Aram Ghaempanah; Mahdi Babaie; Nader Mosavari

4. Investigation of Nickle Nanoclusters Properties by Density Functional Theory

Volume 5, Issue 4, Autumn 2018, Pages 188-196

10.22034/ijnc.2018.34120

Aram Ghaempanah; Darioush Sharafie

5. Optimization of Enaminone Structures and Investigation of Substituent Effects on Molecular Stability Using HF and DFT Soft Computational Methods

Volume 5, Issue 2, Spring 2018, Pages 65-75

10.22034/ijnc.2018.32806

Majid Saghi; Ali Arastehnodeh

6. Theoretical Study of Chemical Properties of Fulleromethyldopa and Derivatives

Volume 5, Issue 1, Winter 2018, Pages 33-39

10.22034/ijnc.2018.32298

Mandana Pirahan Foroush; Laleh Alah Karam

7. A Comparative Study of the Carbonyl Positioning Mechanism in the Mn (CO) 5 CH2F and Mn (CO) 5CHF2 Complex through Quantum Chemistry

Volume 4, Issue 4, Autumn 2017, Pages 125-134

10.22034/ijnc.2017.35356

Zahra Pakdel

8. Density Functional Theory Study of the Behavior of Carbon Nano cone, BP Nano cone and CSi Nano cone as Nano Carriers for 5-Fluorouracil Anticancer Drug in Water

Volume 4, Issue 3, Summer 2017, Pages 72-77

10.22034/ijnc.2017.28504

Tahereh sadat Nasiri Moghaddam; Farrokh Roya Nikmaram; Roya Ahmadi

9. Comparison of Stability Cu(C7H3NO4)2 and Valance / Charge Ratio of Oxygen and Carbon atoms in the Complex by Changing the Vinyl, Acetylene, isopropil

Volume 4, Issue 2, Spring 2017, Pages 50-55

10.22034/ijnc.2017.35325

David Collins

10. The Effect of Glutamine on Conductivity and Energetic Properties in Graphene: A DFT Studies

Volume 1, Issue 4, Autumn 2014, Pages 166-171

10.22034/ijnc.2014.14742

Roya Ahmadi; Elaheh Sadat Mirkamali

11. Methyl Acetylene Detection by BN Nanotube: DFT Studies

Volume 1, Issue 3, Summer 2014, Pages 99-107

10.22034/ijnc.2014.10891

Maziar Noei; Ali Moalla

12. Hydroquinone Detection by BN Nanotube: DFT Studies

Volume 1, Issue 3, Summer 2014, Pages 115-125

10.22034/ijnc.2014.10893

Maziar Noei; Fereshteh Zolfaghari; Ali Akbar Salari

13. Pyrrole Detection by BeO Nanotube: DFT Studies

Volume 1, Issue 3, Summer 2014, Pages 134-144

10.22034/ijnc.2014.10912

Ali Akbar Salari; Maryam Ebrahimikia; Nastaran Ahmadaghaei; Behnaz Dehdari; Maziar Noei

14. Adsorption of Pyridine by Using BeO Nanotube: A DFT Study

Volume 1, Issue 2, Spring 2014, Pages 77-86

10.22034/ijnc.2014.9710

Ali Akbar Salari; Maryam Ebrahimikia; Nastaran Ahmadaghaei; Masoumeh Kalhor; Maziar Noei

15. Ethyl Acetylene Adsorption on the Surface of a BN Nanotube: A Computational Study

Volume 1, Issue 2, Spring 2014, Pages 51-59

10.22034/ijnc.2014.9703

Maziar Noei; Ali Moalla; Fatemeh Meshkinnezhad

16. Pyrrole Adsorption on the Surface of a BN Nanotube: A Computational Study

Volume 1, Issue 2, Spring 2014, Pages 68-76

10.22034/ijnc.2014.9707

Maziar Noei; Asal Haji Jafargholi; Ali Akbar Salari

17. Theoretical Insight of Substituent Effect in Para Substituted Fe(CO)4–pyridine Complexes

Volume 1, Issue 2, Spring 2014, Pages 87-98

10.22034/ijnc.2014.9714

Reza Ghiasi; M Daghighi Asl; S Azmayesh; P Makkipour

18. Adsorption of Ethanol by Using BN Nanotube: A DFT Study

Volume 1, Issue 1, Winter 2014, Pages 22-29

10.22034/ijnc.2014.7205

Maziar Noei; Mojgan Ghaemizadeh

19. Aniline Adsorption on the Surface of a BN Nanotube: A Computational Study

Volume 1, Issue 1, Winter 2014, Pages 1-9

10.22034/ijnc.2014.7203

Maziar Noei; Shima Ebadola; Ali Akbar Salari

20. First Princiles Study of the Electron Transport Properties of Buthane-dithiol Nano-Molecular Wire

Volume 1, Issue 1, Winter 2014, Pages 10-21

10.22034/ijnc.2014.7204

Roya Ahmadi; Masoud Darvish Ganji

Journal Archive

Volume 7 (2020)

Volume 6 (2019)

Volume 5 (2018)

Volume 4 (2017)

Volume 3 (2016)

Volume 2 (2015)

Volume 1 (2014)