International Journal of New Chemistry

1. The role of insertion of Li atom in C60-Porphyrin-Metalloporphyrin, M = (V, Cr, Ni, Cu) as dyes in the DSSC by using the theoretical outlook

Volume 9, Issue 1, January 2022, Pages 102-128

10.22034/ijnc.2022.1.8

Saeed Jamehbozorgi; Manizheh Ghahramanpour; Mahyar Rezvani

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

Volume 8, Issue 1, January 2021, Pages 88-110

10.22034/ijnc.2020.131337.1124

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

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

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

10.22034/ijnc.2020.37718

Sheila Kumer; Maryam Ebrahimikia; Mohammad Yari

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

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

10.22034/ijnc.2019.108651.1052

Aram Ghaempanah; Mahdi Babaie; Nader Mosavari

5. Investigation of Nickle Nanoclusters Properties by Density Functional Theory

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

10.22034/ijnc.2018.34120

Aram Ghaempanah; Darioush Sharafie

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

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

10.22034/ijnc.2018.32806

Majid Saghi; Ali Arastehnodeh

7. Theoretical Study of Chemical Properties of Fulleromethyldopa and Derivatives

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

10.22034/ijnc.2018.32298

Mandana Pirahan Foroush; Laleh Alah Karam

8. 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, December 2017, Pages 125-134

10.22034/ijnc.2017.35356

Zahra Pakdel

9. 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, September 2017, Pages 72-77

10.22034/ijnc.2017.28504

Tahereh sadat Nasiri Moghaddam; Farrokh Roya Nikmaram; Roya Ahmadi

10. 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, April 2017, Pages 50-55

10.22034/ijnc.2017.35325

David Collins

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

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

10.22034/ijnc.2014.14742

Roya Ahmadi; Elaheh Sadat Mirkamali

12. Methyl Acetylene Detection by BN Nanotube: DFT Studies

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

10.22034/ijnc.2014.10891

Maziar Noei; Ali Moalla

13. Hydroquinone Detection by BN Nanotube: DFT Studies

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

10.22034/ijnc.2014.10893

Maziar Noei; Fereshteh Zolfaghari; Ali Akbar Salari

14. Pyrrole Detection by BeO Nanotube: DFT Studies

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

10.22034/ijnc.2014.10912

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

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

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

10.22034/ijnc.2014.9707

Maziar Noei; Asal Haji Jafargholi; Ali Akbar Salari

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

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

10.22034/ijnc.2014.9710

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

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

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

10.22034/ijnc.2014.9714

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

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

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

10.22034/ijnc.2014.7204

Roya Ahmadi; Masoud Darvish Ganji

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

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

10.22034/ijnc.2014.7205

Maziar Noei; Mojgan Ghaemizadeh

Journal Archive

Volume 9 (2022)

Volume 8 (2021)

Volume 7 (2020)

Volume 6 (2019)

Volume 5 (2018)

Volume 4 (2017)

Volume 3 (2016)

Volume 2 (2015)

Volume 1 (2014)