Introducing a novel method based on the imperialistic competitive algorithm to determine fluorine intermolecular potential from <i>ab initio</i> calculations and calculation of some properties via MD simulations

Tashakor, Saeedeh; Noorbala, Mohammad R.; Payvandy, Pedram; Mohammadi-Manesh, Hossein; Namazian, Mansoor

doi:10.1080/08927022.2017.1366655

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Introducing a novel method based on the imperialistic competitive algorithm to determine fluorine intermolecular potential from ab initio calculations and calculation of some properties via MD simulations

Cited by 3 publications

References 36 publications

Calculation of the intermolecular potential energy surfaces of $${\mathbf{H}\mathbf{e}\mathbf{H}}_{3}^{+}$$ by means of ab initio methods

Calculation of the intermolecular potential energy surfaces of $${\mathbf{H}\mathbf{e}\mathbf{H}}_{3}^{+}$$ by means of ab initio methods

Intermolecular potential energy surfaces of NeH3+ and
pour
¹
,
Noorbala
²
,
Namazian
³

2023
Computational and Theoretical Chemistry

A general approximation method for accurate evaluation of the intermolecular potential parameters by using density functional theory

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Introducing a novel method based on the imperialistic competitive algorithm to determine fluorine intermolecular potential from ab initio calculations and calculation of some properties via MD simulations

Cited by 3 publications

References 36 publications

Calculation of the intermolecular potential energy surfaces of $${\mathbf{H}\mathbf{e}\mathbf{H}}_{3}^{+}$$ by means of ab initio methods

Calculation of the intermolecular potential energy surfaces of $${\mathbf{H}\mathbf{e}\mathbf{H}}_{3}^{+}$$ by means of ab initio methods

Intermolecular potential energy surfaces of NeH3+ and pour1, Noorbala2, Namazian3 2023Computational and Theoretical Chemistry

A general approximation method for accurate evaluation of the intermolecular potential parameters by using density functional theory

Contact Info

Product

Resources

About

Intermolecular potential energy surfaces of NeH3+ and
pour
¹
,
Noorbala
²
,
Namazian
³

2023
Computational and Theoretical Chemistry