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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 [Periódico revisado por pares]

Bristol: IOP Publishing

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2
Semi-Empirical Investigation of Electronic, Vibrational and Thermodynamic Properties of Perylene Molecule (C20H12)
Semi-Empirical Investigation of Electronic, Vibrational and Thermodynamic Properties of Perylene Molecule (C20H12)
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Semi-Empirical Investigation of Electronic, Vibrational and Thermodynamic Properties of Perylene Molecule (C20H12)

Mohammed, Abdul Hakim Sh ; Hassan, Issa Z. ; Kadhem, Hassan A. ; Abdulrahman, Rosure Borhanalden

East European journal of physics, 2023-03 (1), p.210-221 [Periódico revisado por pares]

V.N. Karazin Kharkiv National University Publishing

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3
Mechanism of Stereoselective Synthesis of Push-Pull ( Z )-4-Oxothiazolidine Derivatives Containing an Exocyclic Double Bond. A MNDO-PM3 Study
Mechanism of Stereoselective Synthesis of Push-Pull ( Z )-4-Oxothiazolidine Derivatives Containing an Exocyclic Double Bond. A MNDO-PM3 Study
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Mechanism of Stereoselective Synthesis of Push-Pull ( Z )-4-Oxothiazolidine Derivatives Containing an Exocyclic Double Bond. A MNDO-PM3 Study

Marković, Rade ; Vitnik, Željko ; Baranac, Marija ; Juranić, Ivan

Journal of chemical research, 2002-10, Vol.2002 (10), p.485-489 [Periódico revisado por pares]

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4
Diphenylmethane and diphenyl ether experimental conformations and torsional surfaces calculated with AM1, MNDO, PM3, and density functional theory (Becke3LYP)
Diphenylmethane and diphenyl ether experimental conformations and torsional surfaces calculated with AM1, MNDO, PM3, and density functional theory (Becke3LYP)
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Diphenylmethane and diphenyl ether experimental conformations and torsional surfaces calculated with AM1, MNDO, PM3, and density functional theory (Becke3LYP)

Strassner, Thomas

Canadian journal of chemistry, 1997-07, Vol.75 (7), p.1011-1022 [Periódico revisado por pares]

Ottawa, Canada: NRC Research Press

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5
Molecular modeling of the Wittig olefination reaction: Part 2: A molecular orbital approach at the MNDO-PM3 level
Molecular modeling of the Wittig olefination reaction: Part 2: A molecular orbital approach at the MNDO-PM3 level
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Molecular modeling of the Wittig olefination reaction: Part 2: A molecular orbital approach at the MNDO-PM3 level

Marí, Frank ; Lahti, Paul M. ; McEwen, William E.

Heteroatom chemistry, 1991-04, Vol.2 (2), p.265-276 [Periódico revisado por pares]

Florida: VCH Publishers, Inc

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6
Preparation, reactivity, NMR properties and semiempirical MNDO/PM3 structural calculations of 2-azido- and 3-azido-selenophene
Preparation, reactivity, NMR properties and semiempirical MNDO/PM3 structural calculations of 2-azido- and 3-azido-selenophene
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Preparation, reactivity, NMR properties and semiempirical MNDO/PM3 structural calculations of 2-azido- and 3-azido-selenophene

Gronowitz, Salo ; Zanirato, Paolo

Journal of the Chemical Society, Perkin Transactions 2, 1994 (8), p.1815 [Periódico revisado por pares]

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7
Cyclisation of alkoxy radicals. A semiempirical MNDO-PM3 study
Cyclisation of alkoxy radicals. A semiempirical MNDO-PM3 study
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Cyclisation of alkoxy radicals. A semiempirical MNDO-PM3 study

Jurani?, Ivan O. ; Mihailovi?, Mihailo Lj ; Dabovi?, Milan M.

Journal of the Chemical Society, Perkin Transactions 2, 1994 (4), p.877 [Periódico revisado por pares]

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8
MNDO-PM3 calculations of activation energies for the addition of chlorinated C1 and C2 radicals to chlorinated ethylenes and acetylenes
MNDO-PM3 calculations of activation energies for the addition of chlorinated C1 and C2 radicals to chlorinated ethylenes and acetylenes
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MNDO-PM3 calculations of activation energies for the addition of chlorinated C1 and C2 radicals to chlorinated ethylenes and acetylenes

YUN SHI ; SENKAN, S. M

Journal of physical chemistry (1952), 1991-06, Vol.95 (13), p.5181-5186 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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9
Theoretical study of the mechanism of the Wittig reaction: Ab initio and MNDO-PM3 treatment of the reaction of unstabilized, semistabilized, and stabilized ylides with acetaldehyde
Theoretical study of the mechanism of the Wittig reaction: Ab initio and MNDO-PM3 treatment of the reaction of unstabilized, semistabilized, and stabilized ylides with acetaldehyde
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Theoretical study of the mechanism of the Wittig reaction: Ab initio and MNDO-PM3 treatment of the reaction of unstabilized, semistabilized, and stabilized ylides with acetaldehyde

Restrepo-Cossio, Albeiro A. ; Cano, Hermisul ; Marí, Frank ; Gonzalez, Carlos A.

Heteroatom chemistry, 1997, Vol.8 (6), p.557-569 [Periódico revisado por pares]

Florida: VCH Publishers, Inc

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10
IR Spectroscopic Study of Triiodosilane (SiHI 3 ) by Using Semi-empirical Quantum Program
IR Spectroscopic Study of Triiodosilane (SiHI 3 ) by Using Semi-empirical Quantum Program
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IR Spectroscopic Study of Triiodosilane (SiHI 3 ) by Using Semi-empirical Quantum Program

Hussein, Orass Abdulhadi ; Khudhair, Dawood M. ; Aljbar, Alyaa A. Alrazaq A.

Journal of physics. Conference series, 2021-03, Vol.1818 (1), p.12014 [Periódico revisado por pares]

Bristol: IOP Publishing

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