The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two …
Y Zhao, DG Truhlar - Theoretical chemistry accounts, 2008 - Springer
We present two new hybrid meta exchange- correlation functionals, called M06 and M06-2X.
The M06 functional is parametrized including both transition metals and nonmetals, …
The M06 functional is parametrized including both transition metals and nonmetals, …
Proteomics identifies new therapeutic targets of early-stage hepatocellular carcinoma
…, Y Zhao, M Liu, X Zhu, Y Qiu, Y Sun, C Huang, M Yan… - Nature, 2019 - nature.com
Hepatocellular carcinoma is the third leading cause of deaths from cancer worldwide. Infection
with the hepatitis B virus is one of the leading risk factors for developing hepatocellular …
with the hepatitis B virus is one of the leading risk factors for developing hepatocellular …
Density functionals with broad applicability in chemistry
Y Zhao, DG Truhlar - Accounts of chemical research, 2008 - ACS Publications
Although density functional theory is widely used in the computational chemistry community,
the most popular density functional, B3LYP, has some serious shortcomings: (i) it is better …
the most popular density functional, B3LYP, has some serious shortcomings: (i) it is better …
Chemical Dealloying Derived 3D Porous Current Collector for Li Metal Anodes.
A 3D porous Cu current collector is fabricated through chemical dealloying from a commerial
Cu-Zn alloy tape. The interlinked porous framework naturally integrated can accommodate …
Cu-Zn alloy tape. The interlinked porous framework naturally integrated can accommodate …
Design of density functionals by combining the method of constraint satisfaction with parametrization for thermochemistry, thermochemical kinetics, and noncovalent …
Y Zhao, NE Schultz, DG Truhlar - Journal of chemical theory and …, 2006 - ACS Publications
We present a new hybrid meta exchange-correlation functional, called M05-2X, for
thermochemistry, thermochemical kinetics, and noncovalent interactions. We also provide a full …
thermochemistry, thermochemical kinetics, and noncovalent interactions. We also provide a full …
Designing the next generation of proton-exchange membrane fuel cells
With the rapid growth and development of proton-exchange membrane fuel cell (PEMFC)
technology, there has been increasing demand for clean and sustainable global energy …
technology, there has been increasing demand for clean and sustainable global energy …
Neutrophil-to-lymphocyte ratio as an independent risk factor for mortality in hospitalized patients with COVID-19
…, Y Jin, L Peng, HHX Wang, M Luo, L Chen, Y Zhao - Journal of Infection, 2020 - Elsevier
Background Several studies have described the clinical characteristics of patients with novel
coronavirus (SARS-CoV-2) infected pneumonia (COVID-19), indicating severe patients …
coronavirus (SARS-CoV-2) infected pneumonia (COVID-19), indicating severe patients …
Design of density functionals that are broadly accurate for thermochemistry, thermochemical kinetics, and nonbonded interactions
Y Zhao, DG Truhlar - The Journal of Physical Chemistry A, 2005 - ACS Publications
This paper develops two new hybrid meta exchange-correlation functionals for thermochemistry,
thermochemical kinetics, and nonbonded interactions. The new functionals are called …
thermochemical kinetics, and nonbonded interactions. The new functionals are called …
[HTML][HTML] A rapid advice guideline for the diagnosis and treatment of 2019 novel coronavirus (2019-nCoV) infected pneumonia (standard version)
…, YG Zhang, HM Zhang, Y Zhao, MJ Zhao… - Military medical …, 2020 - Springer
In December 2019, a new type viral pneumonia cases occurred in Wuhan, Hubei Province;
and then named “2019 novel coronavirus (2019-nCoV)” by the World Health Organization (…
and then named “2019 novel coronavirus (2019-nCoV)” by the World Health Organization (…
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
Y Zhao, DG Truhlar - The Journal of chemical physics, 2006 - pubs.aip.org
We present a new local density functional, called M06-L, for main-group and transition element
thermochemistry, thermochemical kinetics, and noncovalent interactions. The functional …
thermochemistry, thermochemical kinetics, and noncovalent interactions. The functional …