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Two-dimensional transition metal dichalcogenides as promising anodes for potassium ion batteries from first-principles prediction

Zhang, Zixiang

Physical chemistry chemical physics. Volume 21:Issue 42 (2019); pp 23441-23446 -- Royal Society of Chemistry

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Theoretical investigation of the singlet–triplet splittings for carbazole-based thermally activated delayed fluorescence emitters

Liang, Ke

Physical chemistry chemical physics. Volume 18:Issue 38 (2016); pp 26623-26629 -- Royal Society of Chemistry

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Strategies for computational design and discovery of two-dimensional transition-metal-free materials for electro-catalysis applications

Dong, Huilong

Physical chemistry chemical physics. Volume 21:Issue 46 (2019); pp 25535-25547 -- Royal Society of Chemistry

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Prediction of luciferase inhibitors by the high-performance MIEC-GBDT approach based on interaction energetic patterns

Chen, Fu

Physical chemistry chemical physics. Volume 19:Issue 15 (2017); pp 10163-10176 -- Royal Society of Chemistry

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Mechanistic investigations of the Au catalysed C–H bond activations in on-surface synthesis

Niu, Kaifeng

Physical chemistry chemical physics. Volume 20:Issue 23 (2018); pp 15901-15906 -- Royal Society of Chemistry

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Stability of two-dimensional PN monolayer sheets and their electronic properties

Ma, ShuangYing

Physical chemistry chemical physics. Volume 17:Issue 47 (2015); pp 32009-32015 -- Royal Society of Chemistry

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Monolayer germanium monochalcogenides (GeS/GeSe) as cathode catalysts in nonaqueous Li–O2 batteries

Ji, Yujin et al.

Physical chemistry chemical physics. Volume 19:Issue 31 (2017); pp 20457-20462 -- Royal Society of Chemistry

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Improving the Alkaline Stability of Imidazolium Cations by Substitution

Dong, Huilong et al.

Chemphyschem. Volume 15:Issue 14 (2014); pp 3006-3014 -- Wiley-VCH

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Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein–protein binding free energies and re-rank binding poses generated by protein–protein docking

Chen, Fu

Physical chemistry chemical physics. Volume 18:Issue 32 (2016); pp 22129-22139 -- Royal Society of Chemistry

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Importance of protein flexibility in ranking inhibitor affinities: modeling the binding mechanisms of piperidine carboxamides as Type I1/2 ALK inhibitors1

Kong, Xiaotian et al.

Physical chemistry chemical physics. Volume 17:Issue 8 (2015); pp 6098-6113 -- Royal Society of Chemistry

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