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The Journal of Chemical Physics
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May 8, 2023
Development of NOTCH, an all-electron, beyond-NDDO semiempirical method: Application to diatomic molecules
Zikuan Wang, Frank Neese
Journal of Chemical Theory and Computation
|
July 9, 2021
iOI: An Iterative Orbital Interaction Approach for Solving the Self-Consistent Field Problem
Zikuan Wang, Wenjian Liu
Dalton Transactions (Cambridge, England : 2003)
|
August 3, 2016
Light induced catalytic intramolecular hydrofunctionalization of allylphenols mediated by porphyrin rhodium(iii) complexes
Xu Liu, Zikuan Wang, Xuefeng Fu
Journal of Chemical Theory and Computation
|
October 4, 2024
Efficient and Robust Ab Initio Self-Consistent Field Acceleration Algorithm Based on a Semiempirical Model Hamiltonian
Langyuan Qin, Zikuan Wang, Bingbing Suo
Accounts of Chemical Research
|
August 27, 2021
NAC-TDDFT: Time-Dependent Density Functional Theory for Nonadiabatic Couplings
Zikuan Wang, Chenyu Wu, Wenjian Liu
Chemical Communications (Cambridge, England)
|
June 27, 2015
Visible light promoted hydration of alkynes catalyzed by rhodium(III) porphyrins
Xu Liu, Lianghui Liu, Zikuan Wang, et al.
Frontiers in Chemistry
|
November 29, 2023
When do tripdoublet states fluoresce? A theoretical study of copper(II) porphyrin
Xingwen Wang, Chenyu Wu, Zikuan Wang, et al.
Journal of Chemical Theory and Computation
|
October 21, 2025
O1NumHess: A Fast and Accurate Seminumerical Hessian Algorithm Using Only O(1) Gradients
Bo Wang, Shaohang Luo, Zikuan Wang, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 10, 2020
Chlorination versus hydroxylation selectivity mediated by the non-heme iron halogenase WelO5
Xuan Zhang, Zikuan Wang, Jun Gao, et al.
The Journal of Chemical Physics
|
November 3, 2020
Analytic energy gradients of spin-adapted open-shell time-dependent density functional theory
Zikuan Wang, Zhendong Li, Yong Zhang, et al.
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of 4
Search research articles
Search
Showing results (1-10 of 39) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
May 8, 2023
Development of NOTCH, an all-electron, beyond-NDDO semiempirical method: Application to diatomic molecules
Zikuan Wang, Frank Neese
Journal of Chemical Theory and Computation
|
July 9, 2021
iOI: An Iterative Orbital Interaction Approach for Solving the Self-Consistent Field Problem
Zikuan Wang, Wenjian Liu
Dalton Transactions (Cambridge, England : 2003)
|
August 3, 2016
Light induced catalytic intramolecular hydrofunctionalization of allylphenols mediated by porphyrin rhodium(iii) complexes
Xu Liu, Zikuan Wang, Xuefeng Fu
Journal of Chemical Theory and Computation
|
October 4, 2024
Efficient and Robust Ab Initio Self-Consistent Field Acceleration Algorithm Based on a Semiempirical Model Hamiltonian
Langyuan Qin, Zikuan Wang, Bingbing Suo
Accounts of Chemical Research
|
August 27, 2021
NAC-TDDFT: Time-Dependent Density Functional Theory for Nonadiabatic Couplings
Zikuan Wang, Chenyu Wu, Wenjian Liu
Chemical Communications (Cambridge, England)
|
June 27, 2015
Visible light promoted hydration of alkynes catalyzed by rhodium(III) porphyrins
Xu Liu, Lianghui Liu, Zikuan Wang, et al.
Frontiers in Chemistry
|
November 29, 2023
When do tripdoublet states fluoresce? A theoretical study of copper(II) porphyrin
Xingwen Wang, Chenyu Wu, Zikuan Wang, et al.
Journal of Chemical Theory and Computation
|
October 21, 2025
O1NumHess: A Fast and Accurate Seminumerical Hessian Algorithm Using Only O(1) Gradients
Bo Wang, Shaohang Luo, Zikuan Wang, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 10, 2020
Chlorination versus hydroxylation selectivity mediated by the non-heme iron halogenase WelO5
Xuan Zhang, Zikuan Wang, Jun Gao, et al.
The Journal of Chemical Physics
|
November 3, 2020
Analytic energy gradients of spin-adapted open-shell time-dependent density functional theory
Zikuan Wang, Zhendong Li, Yong Zhang, et al.
Page
of 4