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DFT study on the stability and reaction of carborane and supercarborane ; CUHK electronic theses & dissertations collection

• Authors : Zhang, Jiji (author.); Xie, Zuowei (thesis advisor.); Chinese University of Hong Kong Graduate School. Division of Chemistry. (degree granting institution.)

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From 31P chemical shielding tensor to local structure of phosphorus compounds: a DFT application.

• Authors : Cheung, Chung Hong.; Chinese University of Hong Kong Graduate School. Division of Chemistry.

Subjects: Phosphorus compounds--Analysis; Molecular structure; Nuclear magnetic resonance spectroscopy

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13C chemical shift tensor and ab-initio DFT study of molecular structure. ; Carbon-13 chemical shift tensor and ab-initio DFT study of molecular structure ; CUHK electronic theses & dissertations collection

• Authors : Hu, Hongbing.; Chinese University of Hong Kong Graduate School. Division of Chemistry.

Subjects: Molecular structure; Nuclear magnetic resonance spectroscopy; Density functionals

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Characterization of cobalt porphyrin coordination polymer: Ab initio structure by DFT method.

• Authors : Fong, Ching-yee.; Chinese University of Hong Kong Graduate School. Division of Chemistry.

Subjects: Porphyrins; Organometallic polymers; Organocobalt compounds

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DFT study of the electronic structure of neutral, cationic and anionic states of DNA: role of the phosphate backbone.

• Authors : Chan, Sze-ki.; Chinese University of Hong Kong Graduate School. Division of Chemistry.

Subjects: Nucleotides--Analysis; Density functionals; DNA--Analysis

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DFT study of three-centered hydrogen bond in DNA base pairs.

• Authors : Chiu, Lai Fan.; Chinese University of Hong Kong Graduate School. Division of Chemistry.

Subjects: Hydrogen bonding; Density functionals

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Theoretical study of three-centered hydrogen bonds (TCHBs) in DNA dimers and trimers ion radicals: DFT and NBO studies.

• Authors : Ma, Nap Tak.; Chinese University of Hong Kong Graduate School. Division of Chemistry.

Subjects: Hydrogen bonding; Density functionals; Molecular structure

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Theoretical investigation of three-centered hydrogen bonds in DNA-DFT and NBO studies.

• Authors : Sze, Chun Ngai.; Chinese University of Hong Kong Graduate School. Division of Chemistry.

Subjects: Hydrogen bonding

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DFT and NMR study of J-coupling in DNA nucleosides and nucleotides.

• Authors : Au, Yuen-yee.; Chinese University of Hong Kong Graduate School. Division of Chemistry.

Subjects: Coupling constants; DNA--Conformation; Density functionals

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Drug action mechanism of platinum antitumour compounds: a DFT study. ; CUHK electronic theses & dissertations collection

• Authors : Pang, Siu Kwong.; Chinese University of Hong Kong Graduate School. Division of Chemistry.

Subjects: Cisplatin; Platinum compounds--Therapeutic use; Cancer--Chemotherapy

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