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Physical Chemistry Chemical Physics : PCCP
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January 24, 2020
Mechanisms and kinetics of the low-temperature oxidation of 2-methylfuran: insight from DFT calculations and kinetic simulations
Yuanyuan Li, Zexing Cao
Angewandte Chemie (International Ed. in English)
|
March 4, 2011
Hydration of carbonyl groups: the labile H3O+ ion as an intermediate modulated by the surrounding water molecules
Binju Wang, Zexing Cao
Chemistry, an Asian Journal
|
January 28, 2022
Electron Regulation of Single Indium Atoms at the Active Oxygen Vacancy of In<sub>2</sub> O<sub>3</sub> (110) for Production of Acetic Acid and Acetone through Direct Coupling of CH<sub>4</sub> with CO<sub>2</sub>
Denghui Ma, Zexing Cao
The Journal of Chemical Physics
|
February 2, 2011
Adsorption of nitrogen oxides on graphene and graphene oxides: insights from density functional calculations
Shaobin Tang, Zexing Cao
The Journal of Physical Chemistry. A
|
November 19, 2010
Mechanism of acid-catalyzed hydrolysis of formamide from cluster-continuum model calculations: concerted versus stepwise pathway
Binju Wang, Zexing Cao
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2010
Carbon-doped zigzag boron nitride nanoribbons with widely tunable electronic and magnetic properties: insight from density functional calculations
Shaobin Tang, Zexing Cao
The Journal of Physical Chemistry. A
|
May 8, 2009
Density functional characterization of adsorption and decomposition of 1-propanethiol on the Ga-rich GaAs (001) surface
Shaobin Tang, Zexing Cao
The Journal of Chemical Physics
|
September 26, 2009
Defect-induced chemisorption of nitrogen oxides on (10,0) single-walled carbon nanotubes: Insights from density functional calculations
Shaobin Tang, Zexing Cao
Physical Chemistry Chemical Physics : PCCP
|
September 28, 2022
RBD spatial orientation of the spike protein and its binding to ACE2: insight into the high infectivity of the SARS-CoV-2 Delta variant from MD simulations
Nan Lv, Zexing Cao
The Journal of Physical Chemistry. A
|
August 18, 2006
Relativistic DFT studies of dehydrogenation of methane by Pt cationic clusters: cooperative effect of bimetallic clusters
Fei Xia, Zexing Cao
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of 13
Search research articles
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Showing results (11-20 of 126) with videos related to
Sort By:
Page
of 13
Physical Chemistry Chemical Physics : PCCP
|
January 24, 2020
Mechanisms and kinetics of the low-temperature oxidation of 2-methylfuran: insight from DFT calculations and kinetic simulations
Yuanyuan Li, Zexing Cao
Angewandte Chemie (International Ed. in English)
|
March 4, 2011
Hydration of carbonyl groups: the labile H3O+ ion as an intermediate modulated by the surrounding water molecules
Binju Wang, Zexing Cao
Chemistry, an Asian Journal
|
January 28, 2022
Electron Regulation of Single Indium Atoms at the Active Oxygen Vacancy of In<sub>2</sub> O<sub>3</sub> (110) for Production of Acetic Acid and Acetone through Direct Coupling of CH<sub>4</sub> with CO<sub>2</sub>
Denghui Ma, Zexing Cao
The Journal of Chemical Physics
|
February 2, 2011
Adsorption of nitrogen oxides on graphene and graphene oxides: insights from density functional calculations
Shaobin Tang, Zexing Cao
The Journal of Physical Chemistry. A
|
November 19, 2010
Mechanism of acid-catalyzed hydrolysis of formamide from cluster-continuum model calculations: concerted versus stepwise pathway
Binju Wang, Zexing Cao
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2010
Carbon-doped zigzag boron nitride nanoribbons with widely tunable electronic and magnetic properties: insight from density functional calculations
Shaobin Tang, Zexing Cao
The Journal of Physical Chemistry. A
|
May 8, 2009
Density functional characterization of adsorption and decomposition of 1-propanethiol on the Ga-rich GaAs (001) surface
Shaobin Tang, Zexing Cao
The Journal of Chemical Physics
|
September 26, 2009
Defect-induced chemisorption of nitrogen oxides on (10,0) single-walled carbon nanotubes: Insights from density functional calculations
Shaobin Tang, Zexing Cao
Physical Chemistry Chemical Physics : PCCP
|
September 28, 2022
RBD spatial orientation of the spike protein and its binding to ACE2: insight into the high infectivity of the SARS-CoV-2 Delta variant from MD simulations
Nan Lv, Zexing Cao
The Journal of Physical Chemistry. A
|
August 18, 2006
Relativistic DFT studies of dehydrogenation of methane by Pt cationic clusters: cooperative effect of bimetallic clusters
Fei Xia, Zexing Cao
Page
of 13