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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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2
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 [Periódico revisado por pares]

United States

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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
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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5
Computer modeling of C2 cluster addition to fullerene C60
Computer modeling of C2 cluster addition to fullerene C60
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Computer modeling of C2 cluster addition to fullerene C60

Budyka, Mikhayl F. ; Zyubina, Tatyana S. ; Ryabenko, Alexander G.

International journal of quantum chemistry, 2002-06, Vol.88 (5), p.652-662 [Periódico revisado por pares]

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

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6
MNDO-PM3 study on gas-phase alkaline hydrolysis of phosphoryl and thiophosphoryl fluorides
MNDO-PM3 study on gas-phase alkaline hydrolysis of phosphoryl and thiophosphoryl fluorides
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MNDO-PM3 study on gas-phase alkaline hydrolysis of phosphoryl and thiophosphoryl fluorides

Katagi, T.

Journal of molecular structure. Theochem, 2001-03, Vol.538 (1), p.157-164

Elsevier B.V

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7
PDDG/PM3 and PDDG/MNDO: Improved semiempirical methods
PDDG/PM3 and PDDG/MNDO: Improved semiempirical methods
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PDDG/PM3 and PDDG/MNDO: Improved semiempirical methods

Repasky, Matthew P. ; Chandrasekhar, Jayaraman ; Jorgensen, William L.

Journal of computational chemistry, 2002-12, Vol.23 (16), p.1601-1622 [Periódico revisado por pares]

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

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8
Optimization of parameters for semiempirical methods IV: extension of MNDO, AM1, and PM3 to more main group elements
Optimization of parameters for semiempirical methods IV: extension of MNDO, AM1, and PM3 to more main group elements
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Optimization of parameters for semiempirical methods IV: extension of MNDO, AM1, and PM3 to more main group elements

Stewart, James J P

Journal of molecular modeling, 2004-04, Vol.10 (2), p.155-164 [Periódico revisado por pares]

Germany

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9
Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens
Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens
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Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens

Tubert-Brohman, Ivan ; Guimarães, Cristiano Ruch Werneck ; Repasky, Matthew P. ; Jorgensen, William L.

Journal of computational chemistry, 2004-01, Vol.25 (1), p.138-150 [Periódico revisado por pares]

Hoboken: Wiley Subscription Services, Inc., A Wiley Company

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10
Radical production and cytotoxic activity of tert-butyl-substituted phenols
Radical production and cytotoxic activity of tert-butyl-substituted phenols
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Radical production and cytotoxic activity of tert-butyl-substituted phenols

SAITO, Masatoshi ; ATSUMI, Toshiko ; SATOH, Kazue ; ISHIHARA, Mariko ; IWAKURA, Ikuko ; SAKAGAMI, Hiroshi ; YOKOE, Ichiro ; FUJISAWA, Seiichiro

In vitro & molecular toxicology, 2001, Vol.14 (1), p.53-63 [Periódico revisado por pares]

Larchmont, NY: Liebert

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