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Quantum chemistry aspects of the solvent effects on the ene reaction of 1-Phenyl-1,3,4-triazolin-2,5-dione and 2-methyl-2-butene

Type: Journal Paper

Author : Mohammad Izadyar; Mohammad Khavani

Year: 2014

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Implicit and explicit solvent effects on the selectivity of the cycloaddition reaction of cyclopentadiene and methyl acrylate; a theoretical study

Type: Journal Paper

Author : Mohammad Khavani; Mohammad Izadyar

Year: 2015

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Sensing Ability of Hybrid Cyclic Nanopeptides Based on Thiourea Cryptands for Different Ions, A Joint DFT-D3/MD Study

Type: Journal Paper

Author : Mohammad Izadyar; Mohammad Khavani; Mohammad Reza Housaindokht

Year: 2017

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DFT Study on the Selective Complexation of B12N12 Nanocage with Alkali Metal Ions

Type: Journal Paper

Author : Mohammad Khavani; Mohammad Izadyar; Mohammad Reza Housaindokht

Year: 2017

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Sensing Ability of Hybrid Cyclic Nanopeptides Based on Thiourea Cryptands for Different Ions, A Joint DFT-D3/MD Study

Type: Journal Paper

Author : Mohammad Izadyar; Mohammad Khavani; Mohammad Reza Housaindokht

Year: 2017

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Sensing Ability of Hybrid Cyclic Nanopeptides Based on Thiourea Cryptands for Different Ions, A Joint DFT-D3/MD Study

Type: Journal Paper

Author : Mohammad Izadyar; Mohammad Khavani; Mohammad Reza Housaindokht

Year: 2016

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A DFT study on the kinetics and mechanism of cyclodiglycine thermal decomposition in the gas phase

Type: Journal Paper

Author : Mohammad Khavani; Mohammad Izadyar; Aliyeh Mehranfar

Year: 2016

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A DFT study of solvent effects on the kinetics and mechanism of the [3,3] hetero-Cope rearrangement of 1-butene thiobenzoate

Type: Journal Paper

Author : Mohammad Khavani; Mohammad Izadyar; Mojtaba Rezaeian

Year: 2016

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A Combined Molecular Dynamic and Quantum Mechanic Study of the Solvent and Guest Molecule Effect on the Stability and Length of Heterocyclic Peptide Nanotube

Type: Journal Paper

Author : Mohammad Izadyar; Mohammad Khavani; Mohammad Reza Housaindokht

Year: 2015

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Theoretical Design of the Cyclic Lipopeptide Nanotube as a Molecular Channel in the Lipid Bilayer, Molecular Dynamics and Quantum Mechanics Approach

Type: Journal Paper

Author : Mohammad Khavani; Mohammad Izadyar; Mohammad Reza Housaindokht

Year: 2015

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Quantum chemistry aspects of the solvent effects on the ene reaction of 1-Phenyl-1,3,4-triazolin-2,5-dione and 2-methyl-2-butene

Implicit and explicit solvent effects on the selectivity of the cycloaddition reaction of cyclopentadiene and methyl acrylate; a theoretical study

Sensing Ability of Hybrid Cyclic Nanopeptides Based on Thiourea Cryptands for Different Ions, A Joint DFT-D3/MD Study

DFT Study on the Selective Complexation of B12N12 Nanocage with Alkali Metal Ions

Sensing Ability of Hybrid Cyclic Nanopeptides Based on Thiourea Cryptands for Different Ions, A Joint DFT-D3/MD Study

Sensing Ability of Hybrid Cyclic Nanopeptides Based on Thiourea Cryptands for Different Ions, A Joint DFT-D3/MD Study

A DFT study on the kinetics and mechanism of cyclodiglycine thermal decomposition in the gas phase

A DFT study of solvent effects on the kinetics and mechanism of the [3,3] hetero-Cope rearrangement of 1-butene thiobenzoate

A Combined Molecular Dynamic and Quantum Mechanic Study of the Solvent and Guest Molecule Effect on the Stability and Length of Heterocyclic Peptide Nanotube

Theoretical Design of the Cyclic Lipopeptide Nanotube as a Molecular Channel in the Lipid Bilayer, Molecular Dynamics and Quantum Mechanics Approach

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Quantum chemistry aspects of the solvent effects on the ene reaction of 1-Phenyl-1,3,4-triazolin-2,5-dione and 2-methyl-2-butene

Implicit and explicit solvent effects on the selectivity of the cycloaddition reaction of cyclopentadiene and methyl acrylate; a theoretical study

Sensing Ability of Hybrid Cyclic Nanopeptides Based on Thiourea Cryptands for Different Ions, A Joint DFT-D3/MD Study

DFT Study on the Selective Complexation of B12N12 Nanocage with Alkali Metal Ions

Sensing Ability of Hybrid Cyclic Nanopeptides Based on Thiourea Cryptands for Different Ions, A Joint DFT-D3/MD Study

Sensing Ability of Hybrid Cyclic Nanopeptides Based on Thiourea Cryptands for Different Ions, A Joint DFT-D3/MD Study

A DFT study on the kinetics and mechanism of cyclodiglycine thermal decomposition in the gas phase

A DFT study of solvent effects on the kinetics and mechanism of the [3,3] hetero-Cope rearrangement of 1-butene thiobenzoate

A Combined Molecular Dynamic and Quantum Mechanic Study of the Solvent and Guest Molecule Effect on the Stability and Length of Heterocyclic Peptide Nanotube

Theoretical Design of the Cyclic Lipopeptide Nanotube as a Molecular Channel in the Lipid Bilayer, Molecular Dynamics and Quantum Mechanics Approach