Geng Dong (Former)
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- 2022
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Mark
Aggregation-Induced Emission in a Polymeric Photovoltaic Donor Material
(
- Contribution to journal › Article
- 2021
-
Mark
Ground- And excited-state characteristics in photovoltaic polymer N2200
(
- Contribution to journal › Article
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Mark
Excited-state properties of Y-series small molecule semiconductors
(
- Contribution to journal › Article
- 2020
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Mark
Quantum Mechanics/Molecular Mechanics Study of the Reaction Mechanism of Glyoxalase I
(
- Contribution to journal › Article
-
Mark
Is density functional theory accurate for lytic polysaccharide monooxygenase enzymes
(
- Contribution to journal › Article
- 2018
-
Mark
Reaction mechanism of metalloenzymes studied by theoretical methods
2018)(
- Thesis › Doctoral thesis (compilation)
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Mark
Reaction Mechanism of [NiFe] Hydrogenase Studied by Computational Methods
(
- Contribution to journal › Article
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Mark
Reaction mechanism of formate dehydrogenase studied by computational methods
(
- Contribution to journal › Article
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Mark
Exploration of H2 binding to the [NiFe]-hydrogenase active site with multiconfigurational density functional theory
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- Contribution to journal › Article
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Mark
Insight into the reaction mechanism of lipoyl synthase : a QM/MM study
(
- Contribution to journal › Article
- 2017
-
Mark
H2 binding to the active site of [NiFe] hydrogenase studied by multiconfigurational and coupled-cluster methods
(
- Contribution to journal › Article
-
Mark
Effect of the protein ligand in DMSO reductase studied by computational methods
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- Contribution to journal › Article
- 2016
-
Mark
Protonation states of intermediates in the reaction mechanism of [NiFe] hydrogenase studied by computational methods.
(
- Contribution to journal › Article
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Mark
Computational Studies of Molybdenum and Tungsten Enzymes
(
- Chapter in Book/Report/Conference proceeding › Book chapter
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Mark
Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations
(
- Contribution to journal › Article
-
Mark
O2 activation in salicylate 1,2-dioxygenase : A QM/MM study reveals the role of His162
(
- Contribution to journal › Article