Výsledky vyhledávání - "Nguyen Hoang Trang"

PREDICTING ESTROGEN ACTIVITIES OF BISPHENOL A AND ITS ANALOGS USING QUANTUM CHEMISTRY CALCULATIONS AND ARTIFICIAL NEURAL NETWORKS

Autor: Le Kim Long, Doan Van Phuc, Nguyen Hoang Trang, Nguyen Van Trang, Vu Van Dat, Nguyen Thi Thu Ha

Publikováno v: IZVESTIYA VYSSHIKH UCHEBNYKH ZAVEDENII KHIMIYA KHIMICHESKAYA TEKHNOLOGIYA. 62:31-37

This article presents the results of the quantitative structure – activity relationship (QSAR) study of bisphenol A (BPA) and its analogs using quantum chemistry calculations and method of artificial neural networks (ANN). Molecular structural anal

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::78081e4b282c28828301697c1a21522d
https://doi.org/10.6060/ivkkt.20196205.5933

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Synthesis and Properties of Fe3O4/Polyaniline Nanomaterial and Its Ability of Removing Arsenic in Wastewater

Autor: Tran Minh Thi, Vu Quoc Trung, Mai A. Tuan, Khongvilay Vorayuth, Nguyen M. Nghia, Nguyen Hoang Trang

Publikováno v: MATERIALS TRANSACTIONS. 59:1095-1100

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f734d7e02840485a2a3c262224d84a5b
https://doi.org/10.2320/matertrans.md201703

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The molecular structure of 4-methylpyridine-N-oxide: Gas-phase electron diffraction and quantum chemical calculations

Autor: Natalya V. Belova, Georgiy V. Girichev, Nguyen Hoang Trang, Vitaliya E. Kotova, Kseniya A. Korolkova

Publikováno v: Journal of Molecular Structure

The molecular structure of 4-methylpiridine-N-oxide, 4-MePyO, has been studied by gas-phase electron diffraction monitored by mass spectrometry (GED/MS) and quantum chemical (DFT) calculations. Both, quantum chemistry and GED analyses resulted in CS

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6bb89b619bf6abbd67758953b70aeffe
https://doi.org/10.1016/j.molstruc.2017.11.070

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Orbital interaction between electron lone pair and carbonyl group in N-trifluoroacetylpiperidine and N-piperidine amides: Planar and non-planar nitrogen bond configurations

Autor: Tran Dinh Phien, Nguyen Hoang Trang, Sergey A. Shlykov

Publikováno v: Tetrahedron. 73:5311-5320

Molecular structure of N-trifluoroacetylpiperidine ( NFAPi ) was studied by synchronous gas-phase electron diffraction/mass spectrometry (GED/MS), IR spectroscopy and quantum chemical (QC) calculations. Due to the influence of strong conjugation betw

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::7ef63aecbf78adc9edb9a8dbe7f6f4d1
https://doi.org/10.1016/j.tet.2017.07.031

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Qsar Analysis of the Estrogen Activities of Bisphenol a Analogs using Multiple Linear Regression and Artificial Neural Network

Autor: Le Kim Long, Nguyen Hoang Trang, Vu Van Dat, Nguyen Van Trang, Doan Van Phuc

Publikováno v: VNU Journal of Science: Natural Sciences and Technology. 35

This study gives a quantitative structure-activity relationship (QSAR) analysis of the estrogen activities of bisphenol A and analogs. The chemical structures of 23 Bisphenol A analogs have been characterized by quantum-electronic descriptors. The pr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::424499160064089b13f3c11c57dba39c
https://doi.org/10.25073/2588-1140/vnunst.4818

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ESTIMATING ECONOMICSTECHNOLOGICAL TOOLS FOR STUDYING ENGLISH THROUGH THE TECHNOLOGICAL ACCEPTANCE MODEL

Autor: Phe, Chu Quang, Nguyen Hoang Trang

The paper aims at using the numeric correlation among the TAM"s components to explore,understand and estimate college students" use of information and communication technology(ICT) for learning English. The sample involved 320 freshmen of Economics a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4c64ccb6b189454a63f53f0c3689e816

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A Quantitative Structure – Activity Relationship Study on the Estrogen Activities of Bisphenol a Analogs using Computational Chemistry Methods and Multiple Linear Regression Technique

Autor: Le Kim Long, Doan Van Phuc, Nguyen Hoang Trang, Vu Van Dat

Publikováno v: VNU Journal of Science: Natural Sciences and Technology. 34

This article presents the results of the QSAR study of bisphenol A and its analogs. Molecular-chemical analysis of these substances is performed on base of the Density Functional Theory (DFT), using the function 6-31 + G *. The calculation of the cha

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::09500605f47078343bd6dccc2c1fbca7
https://doi.org/10.25073/2588-1140/vnunst.4778

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