Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Qing-Xing Xie"'
Publikováno v:
Infectious Diseases of Poverty, Vol 10, Iss 1, Pp 1-21 (2021)
Abstract Background Coronaviruses (CoVs) are distributed worldwide and have various susceptible hosts; CoVs infecting humans are called human coronaviruses (HCoVs). Although HCoV-specific drugs are still lacking, many potent targets for drug discover
Externí odkaz:
https://doaj.org/article/6705868fca374820aa98f338eb5ed049
Publikováno v:
Journal of Chemical Theory and Computation. 18:7586-7602
Quantum computers have been shown to have tremendous potential in solving difficult problems in quantum chemistry. In this paper, we propose a new classical-quantum hybrid method, named as power of sine Hamiltonian operator (PSHO), to evaluate the ei
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5f10788ab299487263a46a76966fb773
https://doi.org/10.1021/acs.jctc.2c00759
https://doi.org/10.1021/acs.jctc.2c00759
Publikováno v:
Journal of Chemical Theory and Computation. 18:3737-3746
Variational quantum eigensolver (VQE) is a promising method for ground-state calculations on current noisy intermediate-scale quantum computers. However, the research progress of excited-state calculations on quantum computers is relatively slow. In
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e39fc0066f3d57982a0c3026ecd9830d
https://doi.org/10.1021/acs.jctc.2c00159
https://doi.org/10.1021/acs.jctc.2c00159
Publikováno v:
International Journal of Quantum Chemistry. 122
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0646ef13b80b770adcaaa2b74162f49a
https://doi.org/10.1002/qua.27001
https://doi.org/10.1002/qua.27001
Publikováno v:
Infectious Diseases of Poverty, Vol 10, Iss 1, Pp 1-21 (2021)
Infectious Diseases of Poverty
Infectious Diseases of Poverty
Background Coronaviruses (CoVs) are distributed worldwide and have various susceptible hosts; CoVs infecting humans are called human coronaviruses (HCoVs). Although HCoV-specific drugs are still lacking, many potent targets for drug discovery are bei
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4a9dcbbc9002700cf3b3e60543802c32
https://doaj.org/article/6705868fca374820aa98f338eb5ed049
https://doaj.org/article/6705868fca374820aa98f338eb5ed049
Publikováno v:
Asian Pacific Journal of Tropical Medicine, Vol 14, Iss 9, Pp 385-400 (2021)
Objective: Foodborne parasitic diseases, although with a declining overall incidence rate, are still endangering local public safety. This review aims to describe the current situation and epidemiological trends of foodborne parasitic diseases in Chi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::797bd7ed1852422f356c8d885977a5fe
http://www.apjtm.org/article.asp?issn=1995-7645
http://www.apjtm.org/article.asp?issn=1995-7645
Publikováno v:
Physical Review B. 103
We report an analytical representation of the correlation energy ec(rs, zeta) for a uniform electron gas (UEG), where rs is the Seitz radius or density parameter and zeta is the relative spin polarization. The new functional, called W20, is construct
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f288ce4a417d16db902c47a2ee13a869
https://doi.org/10.1103/physrevb.103.045130
https://doi.org/10.1103/physrevb.103.045130
Publikováno v:
Nanotechnology. 30(49)
By means of density functional theory calculations, we successfully predict two stable 2D triangular borophenes, namely B
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::c41a164b052b82a4cb78224cac57eb6c
https://pubmed.ncbi.nlm.nih.gov/31476738
https://pubmed.ncbi.nlm.nih.gov/31476738
Autor:
Yan Zhao, Qing-Xing Xie
Publikováno v:
Computational Materials Science. 190:110271
Although the single-layer triangular lattice borophene (B3) is unstable, it can be stabilized by growing on the AlN, SiC, or MgO substrate, which has been demonstrated by first-principles phonon spectra calculations. The Bader charge analysis demonst
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::087a4a1718e9ce2f3b8865b0b27bf933
https://doi.org/10.1016/j.commatsci.2020.110271
https://doi.org/10.1016/j.commatsci.2020.110271