Volume 1147

Computational and Theoretical Chemistry

Volume 1147

1

Computational thermochemistry of oxatriquinane and its analogues

Journal:

Computational and Theoretical Chemistry

Year:

2019

Language:

english

File:

PDF, 632 KB

english, 2019

2

Quantum dynamics calculation of the annihilation spectrum for positron–proline scattering

Sugiura, Yutaro, Suzuki, Kento, Koido, Shoichi, Takayanagi, Toshiyuki, Kita, Yukiumi, Tachikawa, Masanori

Journal:

Computational and Theoretical Chemistry

Year:

2019

Language:

english

File:

PDF, 1.87 MB

english, 2019

3

Mechanism study on rhodium(III)-catalyzed C H functionalization of o-vinylphenols with alkynes: Regioselectivity and chemoselectivity

Chen, Lusheng, Zhao, Xue, Huang, Fang, Liu, Jianbiao, Sun, Chuanzhi, Chen, Dezhan

Journal:

Computational and Theoretical Chemistry

Year:

2019

Language:

english

File:

PDF, 3.33 MB

english, 2019

4

Anion⋯π interaction in oxoanion-graphene complex using coronene as model system: A DFT study

Saha, Bapan, Bhattacharyya, Pradip Kr.

Journal:

Computational and Theoretical Chemistry

Year:

2019

Language:

english

File:

PDF, 2.09 MB

english, 2019

5

Influence of charge state and active site structure of tetrahedral copper and silver clusters on the methane activation

Polynskaya, Julia G., Lebedev, Alexander V., Knizhnik, Andrey A., Sinitsa, Alexander S., Smirnov, Roman V., Potapkin, Boris V.

Journal:

Computational and Theoretical Chemistry

Year:

2019

Language:

english

File:

PDF, 2.63 MB

english, 2019

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