Sirous Yourdkhani

发表

Al-doped graphene-like BN nanosheet as a sensor for para-nitrophenol: DFT study

M. Noei, A. A. Peyghan, Sirous Yourdkhani, 2013 .

Characteristics and nature of the halogen-bonding interactions between CCl3F and ozone: a supermolecular and SAPT study

Sirous Yourdkhani, M. Esrafili, A. Bahrami, 2013 .

Silicon-doping makes the B12N12 insulator to an n or p-semiconductor

Sirous Yourdkhani, S. Hashemian, M. T. Baei, 2013 .

Attractive PHHP interactions revealed by state-of-the-art ab initio calculations.

J. Echeverría, Sirous Yourdkhani, M. Jabłoński, 2017, Physical chemistry chemical physics : PCCP.

Interaction of Boron-Nitrogen Doped Benzene Isomers with Water.

Sirous Yourdkhani, T. Korona, Michał Hapka, 2016, The journal of physical chemistry. A.

Exohedral functionalization of C60 by [4+2] cycloaddition of multiple anthracenes

A. A. Peyghan, Sirous Yourdkhani, 2014, Structural Chemistry.

Interaction of Non-polarizable Cations with Azaborine Isomers and Their Mono-Substituted Derivatives: Position, Induction, and Non-Classical Effects Matter.

Sirous Yourdkhani, T. Korona, M. Chojecki, 2018, Chemphyschem : a European journal of chemical physics and physical chemistry.

Capture of carbon dioxide by a nanosized tube of BeO: a DFT study

A. A. Peyghan, Sirous Yourdkhani, 2014, Structural Chemistry.

Substituent effects in the so-called cationπ interaction of benzene and its boron-nitrogen doped analogues: overlooked role of σ-skeleton.

Sirous Yourdkhani, T. Korona, M. Chojecki, 2019, Physical chemistry chemical physics : PCCP.

Structure and Energetics of Complexes of B12N12 with Hydrogen Halides-SAPT(DFT) and MP2 Study.

Sirous Yourdkhani, Tatiana Korona, Sirous Yourdkhani, 2015, The journal of physical chemistry. A.

On the role of substituent in noncovalent functionalization of graphene and organophosphor recognition: IQA and SAPT perspective

Sirous Yourdkhani, M. Najafi, Nabi Javadi, 2017 .

Random Phase Approximation Applied to Many-Body Noncovalent Systems.

J. Klimeš, Sirous Yourdkhani, Marcin Modrzejewski, 2019, Journal of chemical theory and computation.

Physical nature of silane⋯carbene dimers revealed by state‐of‐the‐art ab initio calculations

Sirous Yourdkhani, Miroslaw Jablonski, Sirous Yourdkhani, 2019, J. Comput. Chem..

Stability of endo- and exohedral complexes of all-boron fullerene B 40

Sirous Yourdkhani, T. Korona, D. Rutkowska-Żbik, 2018, Computational and Theoretical Chemistry.

Revealing the physical nature and the strength of charge‐inverted hydrogen bonds by SAPT(DFT), MP2, SCS‐MP2, MP2C, and CCSD(T) methods

Sirous Yourdkhani, Miroslaw Jablonski, Sirous Yourdkhani, 2017, J. Comput. Chem..

Interplay between tetrel and triel bonds in RC6H4CN⋯MF3CN⋯BX3 complexes: A combined symmetry‐adapted perturbation theory, Møller‐Plesset, and quantum theory of atoms‐in‐molecules study

Sirous Yourdkhani, Tatiana Korona, Nasser L. Hadipour, 2015, J. Comput. Chem..

A DFT study on doping assisted changing of B80 electronic structure: Promising candidates for NH3 sensor

Sirous Yourdkhani, N. Hadipour, M. Esrafili, 2014 .

Working Mechanism of a BC3 Nanotube Carbon Monoxide Gas Sensor

M. Noei, A. A. Peyghan, Sirous Yourdkhani, 2013 .

A Theoretical Study of OH and OCH3 Free Radical Adsorption on a Nanosized Tube of BC2N

A. A. Peyghan, Sirous Yourdkhani, M. B. Tabar, 2013, Journal of Cluster Science.

The response of selected isomers of B80 buckyball toward NH3 adsorption: a density functional theory investigation

Sirous Yourdkhani, N. Hadipour, M. Esrafili, 2013, Structural Chemistry.