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Refinado por: Base de dados/Biblioteca: Electronic Journals Library remover Base de dados/Biblioteca: Gale Academic OneFile remover
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1
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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2
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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3
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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4
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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5
Semiempirical Theoretical Studies of 1,3-Benzodioxole Derivatives as Corrosion Inhibitors
Semiempirical Theoretical Studies of 1,3-Benzodioxole Derivatives as Corrosion Inhibitors
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Semiempirical Theoretical Studies of 1,3-Benzodioxole Derivatives as Corrosion Inhibitors

Shamy, Omnia A.A. El Deflorian, Flavio

International Journal of Corrosion, 2017-01, Vol.2017, p.1-10 [Periódico revisado por pares]

New York: Hindawi

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6
Determination of all pK a Values of Some di- and Tri-Carboxylic Unsaturated and Epoxy Acids and Their Polylinear Correlation with the Carboxylic Group Atomic Charges
Determination of all pK a Values of Some di- and Tri-Carboxylic Unsaturated and Epoxy Acids and Their Polylinear Correlation with the Carboxylic Group Atomic Charges
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Determination of all pK a Values of Some di- and Tri-Carboxylic Unsaturated and Epoxy Acids and Their Polylinear Correlation with the Carboxylic Group Atomic Charges

Pfendt, L. ; Drazić, B. ; Popović, G. ; Drakulić, B. ; Vitnik, Z. ; Juranić, I.

Journal of chemical research, 2003-05, Vol.2003 (5), p.247-248 [Periódico revisado por pares]

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7
Theoretical studies of heterofullerenes C68X2 (X = N, B)
Theoretical studies of heterofullerenes C68X2 (X = N, B)
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Theoretical studies of heterofullerenes C68X2 (X = N, B)

Chen, Zhongfang ; Ma, Keqin ; Pan, Yinming ; Zhao, Xuezhuang ; Tang, Auchin

Canadian journal of chemistry, 1999-03, Vol.77 (3), p.291-298 [Periódico revisado por pares]

Ottawa, Canada: NRC Research Press

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8
Frontier orbital interactions in the hetero Diels-Alder cycloaddition of diazadienes
Frontier orbital interactions in the hetero Diels-Alder cycloaddition of diazadienes
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Frontier orbital interactions in the hetero Diels-Alder cycloaddition of diazadienes

Sharma, Pratibha ; Kumar, Ashok ; Sahu, Vinita ; Singh, Jitendra

Canadian journal of chemistry, 2008-05, Vol.86 (5), p.384-394 [Periódico revisado por pares]

Ottawa, Canada: NRC Research Press

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9
Quantitative structure-property relationships in the pyridine series
Quantitative structure-property relationships in the pyridine series
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Quantitative structure-property relationships in the pyridine series

Pankratov, Alexei N.

Heteroatom chemistry, 2002, Vol.13 (3), p.229-241 [Periódico revisado por pares]

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

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10
2-S-Methyl-5,5-dimethylimidazolin-4-one: chemical behaviour and crystal structure of its Δ1 tautomer
2-S-Methyl-5,5-dimethylimidazolin-4-one: chemical behaviour and crystal structure of its Δ1 tautomer
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2-S-Methyl-5,5-dimethylimidazolin-4-one: chemical behaviour and crystal structure of its Δ1 tautomer

Cristiani, Franco ; Devillanova, Francesco A ; Diaz, Angelo ; Isaia, Francesco ; Verani, Gaetano ; Demartin, Francesco ; Saba, Giuseppe

Canadian journal of chemistry, 1991-03, Vol.69 (3), p.383-390 [Periódico revisado por pares]

Ottawa, Canada: NRC Research Press

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