Density functional calculations of COSMO solvation energies and pKa values of several compounds: A comparison between numerical basis sets and Gaussian basis sets /

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Detalles Bibliográficos
Autor principal:	Pham Le Nhan.
Otros Autores:	Huynh Phuong Thao., Nguyen Tien Trung., Tran Thi Hoai Linh.
Formato:	Artículo
Lenguaje:	Vietnamese
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Thư viện lưu trữ:	Thư viện Trường Đại học Đà Lạt

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Density functional calculations of COSMO solvation energies and pKa values of several compounds: A comparison between numerical basis sets and Gaussian basis sets /

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