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Theoretical investigation of 1,4-dioxane complexes with water in the chair conformation by semiempiric MNDO/PM3 method
Theoretical investigation of 1,4-dioxane complexes with water in the chair conformation by semiempiric MNDO/PM3 method
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Theoretical investigation of 1,4-dioxane complexes with water in the chair conformation by semiempiric MNDO/PM3 method

Buz’ko, V. Yu ; Sukhno, I. V. ; Panyushkin, V. T. ; Ramazanova, D. N.

Journal of structural chemistry, 2005-07, Vol.46 (4), p.596-602 [Peer Reviewed Journal]

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2
Radical polymerization of diallylamine compounds: From quantum chemical modeling to controllable synthesis of high-molecular-weight polymers
Radical polymerization of diallylamine compounds: From quantum chemical modeling to controllable synthesis of high-molecular-weight polymers
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Radical polymerization of diallylamine compounds: From quantum chemical modeling to controllable synthesis of high-molecular-weight polymers

Timofeeva, L. M. ; Vasilieva, Y. A. ; Kleshcheva, N. A. ; Gromova, G. L. ; Topchiev, D. A.

International journal of quantum chemistry, 2002-06, Vol.88 (5), p.531-541 [Peer Reviewed Journal]

New York: Wiley Subscription Services, Inc., A Wiley Company

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3
Optimization of molecular cavities in the PCM of neutral molecules using charge dependent atomic radii: applications to the semi-empirical AM1 and MNDO/PM3 methods
Optimization of molecular cavities in the PCM of neutral molecules using charge dependent atomic radii: applications to the semi-empirical AM1 and MNDO/PM3 methods
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Optimization of molecular cavities in the PCM of neutral molecules using charge dependent atomic radii: applications to the semi-empirical AM1 and MNDO/PM3 methods

Gonçalves, Paulo F.B. ; Livotto, Paolo R.

Chemical physics letters, 1999-05, Vol.304 (5), p.438-444 [Peer Reviewed Journal]

Elsevier B.V

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4
Cyclopentadienyl type η5-π-complexes of C60 fullerene derivatives with indium and thallium: simulation of molecular and electronic structure by the MNDO/PM3 methodof C60 fullerene derivatives with indium and thallium: simulation of molecular and electronic structure by the MNDO/PM3 method
Cyclopentadienyl type η5-π-complexes of C60 fullerene derivatives with indium and thallium: simulation of molecular and electronic structure by the MNDO/PM3 methodof C60 fullerene derivatives with indium and thallium: simulation of molecular and electronic structure by the MNDO/PM3 method
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Cyclopentadienyl type η5-π-complexes of C60 fullerene derivatives with indium and thallium: simulation of molecular and electronic structure by the MNDO/PM3 methodof C60 fullerene derivatives with indium and thallium: simulation of molecular and electronic structure by the MNDO/PM3 method

Chistyakov, A. L. ; Stankevich, I. V.

Russian chemical bulletin, 1997-11, Vol.46 (11), p.1832-1837 [Peer Reviewed Journal]

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5
Calculate the Thermal Properties of (S2F2) Using Semi-empirical Quantum Mechanics (MNDO / PM3)
Calculate the Thermal Properties of (S2F2) Using Semi-empirical Quantum Mechanics (MNDO / PM3)
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Calculate the Thermal Properties of (S2F2) Using Semi-empirical Quantum Mechanics (MNDO / PM3)

Resan, Nada J. ; Abdullhussein, Ruaa S. ; Haider, Haider M.J

Ibn Al-Haitham Journal for Pure and Applied Sciences, 2022-01, Vol.35 (1), p.16-27 [Peer Reviewed Journal]

University of Baghdad

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6
Sandwich complexes of Si, Ge, Sn, and Pb with cyclopentadienyl type derivatives of corannulene and fullerene C60: stability estimates and molecular and electronic structure prediction by the MNDO/PM3 method
Sandwich complexes of Si, Ge, Sn, and Pb with cyclopentadienyl type derivatives of corannulene and fullerene C60: stability estimates and molecular and electronic structure prediction by the MNDO/PM3 method
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Sandwich complexes of Si, Ge, Sn, and Pb with cyclopentadienyl type derivatives of corannulene and fullerene C60: stability estimates and molecular and electronic structure prediction by the MNDO/PM3 method

Chistyakov, A. L. ; Stankevich, I. V.

Russian chemical bulletin, 1999-09, Vol.48 (9), p.1628-1635 [Peer Reviewed Journal]

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7
Study The Spectral and Thermal Properties of The Molecule Tetracene (C18-H12) by Using Semi Empirical Quantum programs
Study The Spectral and Thermal Properties of The Molecule Tetracene (C18-H12) by Using Semi Empirical Quantum programs
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Study The Spectral and Thermal Properties of The Molecule Tetracene (C18-H12) by Using Semi Empirical Quantum programs

Abdulla, Zeno M. ; Mohammed, Abdul Hakim Sh

Journal of physics. Conference series, 2021-09, Vol.1999 (1), p.12048 [Peer Reviewed Journal]

Bristol: IOP Publishing

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8
Mechanism of methane activation by electrophiles generated in the AlBr5 system: An MNDO/PM3 study of the potential energy surface of the [AlBr5+CH4] system
Mechanism of methane activation by electrophiles generated in the AlBr5 system: An MNDO/PM3 study of the potential energy surface of the [AlBr5+CH4] system
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Mechanism of methane activation by electrophiles generated in the AlBr5 system: An MNDO/PM3 study of the potential energy surface of the [AlBr5+CH4] system

Chistyakov, A. L. ; Stankevich, I. V. ; Gambaryan, N. P. ; Akhrem, I. S.

Russian chemical bulletin, 2000-05, Vol.49 (5), p.799-805 [Peer Reviewed Journal]

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9
MNDO/PM3 study of the mechanism of a model reaction between methane and Br+ cation
MNDO/PM3 study of the mechanism of a model reaction between methane and Br+ cation
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MNDO/PM3 study of the mechanism of a model reaction between methane and Br+ cation

Chistyakov, A. L. ; Stankevich, I. V. ; Gambaryan, N. P. ; Akhrem, I. S.

Russian chemical bulletin, 1998-09, Vol.47 (9), p.1666-1669 [Peer Reviewed Journal]

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10
Simulation of geometrical and electronic structure of quasi-two-dimensional layer consisting of fullerenes D6h-C36
Simulation of geometrical and electronic structure of quasi-two-dimensional layer consisting of fullerenes D6h-C36
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Simulation of geometrical and electronic structure of quasi-two-dimensional layer consisting of fullerenes D6h-C36

Gal'pern, E G ; Stankevich, I V ; Chistyakov, A L ; Chernozatonskii, L A

Journal of molecular graphics & modelling, 2001-04, Vol.19 (2), p.189-193 [Peer Reviewed Journal]

United States

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