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نمایش تعداد 1-10 از 54

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

نوع: Journal Paper

نویسنده : Mohammad Izadyar; Mohammad Khavani

سال: 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

نوع: Journal Paper

نویسنده : Mohammad Khavani; Mohammad Izadyar

سال: 2015

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

نوع: Journal Paper

نویسنده : Mohammad Izadyar; Mohammad Khavani; Mohammad Reza Housaindokht

سال: 2017

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

نوع: Journal Paper

نویسنده : Mohammad Khavani; Mohammad Izadyar; Mohammad Reza Housaindokht

سال: 2017

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

نوع: Journal Paper

نویسنده : Mohammad Izadyar; Mohammad Khavani; Mohammad Reza Housaindokht

سال: 2017

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

نوع: Journal Paper

نویسنده : Mohammad Izadyar; Mohammad Khavani; Mohammad Reza Housaindokht

سال: 2016

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

نوع: Journal Paper

نویسنده : Mohammad Khavani; Mohammad Izadyar; Aliyeh Mehranfar

سال: 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

نوع: Journal Paper

نویسنده : Mohammad Khavani; Mohammad Izadyar; Mojtaba Rezaeian

سال: 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

نوع: Journal Paper

نویسنده : Mohammad Izadyar; Mohammad Khavani; Mohammad Reza Housaindokht

سال: 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

نوع: Journal Paper

نویسنده : Mohammad Khavani; Mohammad Izadyar; Mohammad Reza Housaindokht

سال: 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