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Equation-of-motion coupled-cluster theory for double electron attachment with spin–orbit coupling

The Journal of chemical physics, 2020-12, Vol.153 (21), p.214118-214118

2020

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Approximate equation-of-motion coupled-cluster methods for electron affinities of closed-shell molecules

The Journal of chemical physics, 2020-03, Vol.152 (12), p.124111-124111

2020

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Splittings of d8 configurations of late-transition metals with EOM-DIP-CCSD and FSCCSD methods

The Journal of chemical physics, 2020-04, Vol.152 (13), p.134105-134105

2020

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Properties of closed-shell superheavy element hydrides and halides using coupled-cluster method and density functional theory with spin-orbit coupling

The Journal of chemical physics, 2018-01, Vol.148 (4), p.044304-044304

2018

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Multi-technique integration separation frameworks after steam reforming for coal-based hydrogen generation

Chinese journal of chemical engineering, 2021-07, Vol.35 (7), p.163-172

2021

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Natural gas geological characteristics and great discovery of large gas fields in deep-water area of the western South China Sea

Natural Gas Industry B, 2015-12, Vol.2 (6), p.489-498

2015

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Single-precision open-shell CCSD and CCSD(T) calculations on graphics processing units

Physical chemistry chemical physics : PCCP, 2020-11, Vol.22 (43), p.2513-25111

2020

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Geology and hydrocarbon accumulations in the deepwater of the northwestern South China Sea--with focus on natural gas

Acta oceanologica Sinica, 2015-10, Vol.34 (10), p.57-70

2015

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MXenes induced formation of Ni-MOF microbelts for high-performance supercapacitors

Journal of colloid and interface science, 2021-06, Vol.592, p.95-102

2021

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Stationary Points on Potential Energy Surface of Cyclic C3H3 with Coupled-Cluster Approaches and Density Functional Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-05, Vol.125 (19), p.4079-4088

2021

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Stationary Points on Potential Energy Surface of Cyclic C 3 H 3 with Coupled-Cluster Approaches and Density Functional Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-05, Vol.125 (19), p.4079-4088

2021

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Treating spin-orbit coupling at different levels in equation-of-motion coupled-cluster calculations

Molecular physics, 2020-10, Vol.118 (19-20)

2020

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Correction: Single-precision open-shell CCSD and CCSD(T) calculations on graphics processing units

Physical chemistry chemical physics : PCCP, 2020-12, Vol.22 (47), p.27913-27913

2020

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Reduction of efficiency penalty for a natural gas combined cycle power plant with post-combustion CO2 capture: Integration of liquid natural gas cold energy

Energy conversion and management, 2019-10, Vol.198, p.111852, Article 111852

2019

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Low-lying states of Tl2 and Nh2 with EOM-CC and FSCC methods

Chemical physics letters, 2021-06, Vol.773, p.138593, Article 138593

2021

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Effects of ligands on excitation energies of [ UO 2 X 4 ] 2− and UO 2 X 2 (X = F, Cl) with the equation‐of‐motion coupled‐cluster theory

International journal of quantum chemistry, 2022-11, Vol.122 (21)

2022

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Effects of ligands on excitation energies of [UO2X4]2− and UO2X2 (X = F, Cl) with the equation‐of‐motion coupled‐cluster theory

International journal of quantum chemistry, 2022-11, Vol.122 (21), p.n/a

2022

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Low-lying states of MX2 (M = Ag, Au; X = Cl, Br and I) with coupled-cluster approaches: effect of the basis set, high level correlation and spin–orbit coupling

Physical chemistry chemical physics : PCCP, 2020-12, Vol.22 (45), p.26178-26188

2020

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Energy correction and analytic energy gradients due to triples in CCSD(T) with spin-orbit coupling on graphic processing units using single-precision data

Molecular physics, 2021-11, Vol.119 (21-22)

2021

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Superior acidic sulfate ester group based high conductive membrane for vanadium redox flow battery

Journal of power sources, 2021-09, Vol.506, p.230203, Article 230203

2021

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Low-lying states of MX 2 (M = Ag, Au; X = Cl, Br and I) with coupled-cluster approaches: effect of the basis set, high level correlation and spin–orbit coupling

Physical chemistry chemical physics : PCCP, 2020-11, Vol.22 (45), p.26178-26188

2020

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Low-lying states of MX (M = Ag, Au; X = Cl, Br and I) with coupled-cluster approaches: effect of the basis set, high level correlation and spin-orbit coupling

Physical chemistry chemical physics : PCCP, 2020-11, Vol.22 (45), p.26178-26188

2020

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Amphiphilic PDMS-HEMA membrane surface for improved gas selectivity and blood compatibility

Journal of membrane science, 2024-01, Vol.690, p.122183, Article 122183

2024

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A corrected CIS(D∞) method for valence and Rydberg excitation energies

Chemical physics letters, 2019-09, Vol.730, p.54-59

2019

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Integration of a well-designed biomass pair in electrochemical hydrogen pump reactor: ethylene glycol dehydrogenation and levulinic acid hydrogenation

International journal of hydrogen energy, 2022-07, Vol.47 (65), p.28086-28094

2022

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Equation-of-motion coupled-cluster theory for double electron attachment with spin–orbit coupling

Approximate equation-of-motion coupled-cluster methods for electron affinities of closed-shell molecules

Splittings of d8 configurations of late-transition metals with EOM-DIP-CCSD and FSCCSD methods

Properties of closed-shell superheavy element hydrides and halides using coupled-cluster method and density functional theory with spin-orbit coupling

Multi-technique integration separation frameworks after steam reforming for coal-based hydrogen generation

Natural gas geological characteristics and great discovery of large gas fields in deep-water area of the western South China Sea

Single-precision open-shell CCSD and CCSD(T) calculations on graphics processing units

Geology and hydrocarbon accumulations in the deepwater of the northwestern South China Sea--with focus on natural gas

MXenes induced formation of Ni-MOF microbelts for high-performance supercapacitors

Stationary Points on Potential Energy Surface of Cyclic C3H3 with Coupled-Cluster Approaches and Density Functional Theory

Stationary Points on Potential Energy Surface of Cyclic C 3 H 3 with Coupled-Cluster Approaches and Density Functional Theory

Treating spin-orbit coupling at different levels in equation-of-motion coupled-cluster calculations

Correction: Single-precision open-shell CCSD and CCSD(T) calculations on graphics processing units

Reduction of efficiency penalty for a natural gas combined cycle power plant with post-combustion CO2 capture: Integration of liquid natural gas cold energy

Low-lying states of Tl2 and Nh2 with EOM-CC and FSCC methods

Effects of ligands on excitation energies of [ UO 2 X 4 ] 2− and UO 2 X 2 (X = F, Cl) with the equation‐of‐motion coupled‐cluster theory

Effects of ligands on excitation energies of [UO2X4]2− and UO2X2 (X = F, Cl) with the equation‐of‐motion coupled‐cluster theory

Low-lying states of MX2 (M = Ag, Au; X = Cl, Br and I) with coupled-cluster approaches: effect of the basis set, high level correlation and spin–orbit coupling

Energy correction and analytic energy gradients due to triples in CCSD(T) with spin-orbit coupling on graphic processing units using single-precision data

Superior acidic sulfate ester group based high conductive membrane for vanadium redox flow battery

Low-lying states of MX 2 (M = Ag, Au; X = Cl, Br and I) with coupled-cluster approaches: effect of the basis set, high level correlation and spin–orbit coupling

Low-lying states of MX (M = Ag, Au; X = Cl, Br and I) with coupled-cluster approaches: effect of the basis set, high level correlation and spin-orbit coupling

Amphiphilic PDMS-HEMA membrane surface for improved gas selectivity and blood compatibility

A corrected CIS(D∞) method for valence and Rydberg excitation energies

Integration of a well-designed biomass pair in electrochemical hydrogen pump reactor: ethylene glycol dehydrogenation and levulinic acid hydrogenation

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