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, …
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 …
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 …
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 …
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 …
OsSPL13 controls grain size in cultivated rice
…, E Chen, C Gong, Q Zhao, Y Jing, Y Zhao… - Nature …, 2016 - nature.com
Although genetic diversity has a cardinal role in domestication, abundant natural allelic
variations across the rice genome that cause agronomically important differences between …
variations across the rice genome that cause agronomically important differences between …
The use of anti-inflammatory drugs in the treatment of people with severe coronavirus disease 2019 (COVID-19): The Perspectives of clinical immunologists from …
W Zhang, Y Zhao, F Zhang, Q Wang, T Li, Z Liu… - Clinical …, 2020 - Elsevier
The pandemic outbreak of coronavirus disease 2019 (COVID-19) is rapidly spreading all
over the world. Reports from China showed that about 20% of patients developed severe …
over the world. Reports from China showed that about 20% of patients developed severe …
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 …
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 …
Clinical characteristics of 138 hospitalized patients with 2019 novel coronavirus–infected pneumonia in Wuhan, China
…, J Zhang, B Wang, H Xiang, Z Cheng, Y Xiong, Y Zhao… - jama, 2020 - jamanetwork.com
Importance In December 2019, novel coronavirus (2019-nCoV)–infected pneumonia (NCIP)
occurred in Wuhan, China. The number of cases has increased rapidly but information on …
occurred in Wuhan, China. The number of cases has increased rapidly but information on …