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Refinado por: Lista de Todas as Versões Science Citation Index Expanded (Web of Science) remover
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1
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 [Periódico revisado por pares]

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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 [Periódico revisado por pares]

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 [Periódico revisado por pares]

Elsevier B.V

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4
EFFICIENCY OF THE MNDO-PM3 METHOD TO DESCRIBE THE GEOMETRIC AND ELECTRONIC STRUCTURE OF 1,2-DITHIOLE-3-THIONES AND 1,2-DITHIOLE-3-ONES
EFFICIENCY OF THE MNDO-PM3 METHOD TO DESCRIBE THE GEOMETRIC AND ELECTRONIC STRUCTURE OF 1,2-DITHIOLE-3-THIONES AND 1,2-DITHIOLE-3-ONES
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EFFICIENCY OF THE MNDO-PM3 METHOD TO DESCRIBE THE GEOMETRIC AND ELECTRONIC STRUCTURE OF 1,2-DITHIOLE-3-THIONES AND 1,2-DITHIOLE-3-ONES

Chollet-krugler, M. ; Botrel, A. ; Charbit, J. J. ; Barbe, J. ; Burgot, J. L.

Phosphorus, sulfur, and silicon and the related elements, 2000-01, Vol.166 (1), p.27-44 [Periódico revisado por pares]

Taylor & Francis Group

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5
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 [Periódico revisado por pares]

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6
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 [Periódico revisado por pares]

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7
The MNDO-PM3 study of the mechanism of nucleophilic substitution of the phenoxide anion for the nitro group in 1,3,5-trinitrobenzene and 2,4,6-trinitrotoluene in the gas phase and in polar solvents
The MNDO-PM3 study of the mechanism of nucleophilic substitution of the phenoxide anion for the nitro group in 1,3,5-trinitrobenzene and 2,4,6-trinitrotoluene in the gas phase and in polar solvents
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The MNDO-PM3 study of the mechanism of nucleophilic substitution of the phenoxide anion for the nitro group in 1,3,5-trinitrobenzene and 2,4,6-trinitrotoluene in the gas phase and in polar solvents

Solkan, V. N. ; Shevelev, S. A.

Russian chemical bulletin, 1995-04, Vol.44 (4), p.603-607 [Periódico revisado por pares]

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8
Excimer fluorescence and structures of the inclusion complexes of β-cyclodextrin with naphthalene and its derivatives
Excimer fluorescence and structures of the inclusion complexes of β-cyclodextrin with naphthalene and its derivatives
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Excimer fluorescence and structures of the inclusion complexes of β-cyclodextrin with naphthalene and its derivatives

Nazarov, V. B. ; Avakyan, V. G. ; Vershinnikova, T. G. ; Alfimov, M. V.

Russian chemical bulletin, 2000-10, Vol.49 (10), p.1699-1706 [Periódico revisado por pares]

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9
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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10
Simulation of geometrical and electronic structure of quasi-two-dimensional layer consisting of fullerenes D 6h-C 36
Simulation of geometrical and electronic structure of quasi-two-dimensional layer consisting of fullerenes D 6h-C 36
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Simulation of geometrical and electronic structure of quasi-two-dimensional layer consisting of fullerenes D 6h-C 36

Gal’pern, Elena G ; Stankevich, Ivan V ; Chistyakov, Anatolii L ; Chernozatonskii, Leonid A

Journal of molecular graphics & modelling, 2001, Vol.19 (2), p.189-193 [Periódico revisado por pares]

Elsevier Inc

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