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Publication : proceedings of the national academy of sciences of the united states of america فلترة بواسطة : موضوع

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Academic Journal

The birth and evolution of solvated electrons in the water

Authors : Novelli, Fabio; Chen, Kaixuan; Buchmann, Adrian

Subjects: Chemical Sciences; Physical Chemistry; Theoretical and Computational Chemistry

Source: Proceedings of the National Academy of Sciences of the United States of America. 120(8)

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Academic Journal

From antenna to reaction center: Pathways of ultrafast energy and charge transfer in photosystem II

Authors : Yang, Shiun-Jr; Arsenault, Eric A; Orcutt, Kaydren

Subjects: Physical Sciences; Chemical Sciences; Physical Chemistry

Source: Proceedings of the National Academy of Sciences of the United States of America. 119(42)

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Academic Journal

Many-body effects in the X-ray absorption spectra of liquid water

Authors : Tang, Fujie; Li, Zhenglu; Zhang, Chunyi

Subjects: Physical Sciences; Chemical Sciences; Physical Chemistry

Source: Proceedings of the National Academy of Sciences of the United States of America. 119(20)

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Academic Journal

Vibrational relaxation dynamics in layered perovskite quantum wells

Authors : Quan, Li Na; Park, Yoonjae; Guo, Peijun

Subjects: Macromolecular and Materials Chemistry; Chemical Sciences; Physical Chemistry

Source: Proceedings of the National Academy of Sciences of the United States of America. 118(25)

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Academic Journal

Vibrational exciton nanoimaging of phases and domains in porphyrin nanocrystals

Authors : Muller, Eric A; Gray, Thomas P; Zhou, Zhou

Subjects: Macromolecular and Materials Chemistry; Chemical Sciences; Physical Chemistry

Source: Proceedings of the National Academy of Sciences of the United States of America. 117(13)

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Academic Journal

Variational implicit-solvent predictions of the dry–wet transition pathways for ligand–receptor binding and unbinding kinetics

Authors : Zhou, Shenggao; Weiß, R Gregor; Cheng, Li-Tien

Subjects: Chemical Sciences; Theoretical and Computational Chemistry; Hydrophobic and Hydrophilic Interactions

Source: Proceedings of the National Academy of Sciences of the United States of America. 116(30)

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Academic Journal

High-resolution neutron crystallography visualizes an OH-bound resting state of a copper-containing nitrite reductase.

Authors : Yohta Fukuda¹; Yu Hirano²; Katsuhiro Kusaka³

Subjects: *NITRITE reductase; *COMPUTATIONAL chemistry; *NEUTRONS

Source: Proceedings of the National Academy of Sciences of the United States of America. 2/25/2020, Vol. 117 Issue 8, p4071-4077. 7p.

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Academic Journal

Mechanistic insights into electrochemical reduction of CO2 over Ag using density functional theory and transport models

Authors : Singh, Meenesh R; Goodpaster, Jason D; Weber, Adam Z

Subjects: Engineering; Chemical Sciences; Physical Chemistry

Source: Proceedings of the National Academy of Sciences of the United States of America. 114(42)

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Academic Journal

Deep learning of dynamically responsive chemical Hamiltonians with semiempirical quantum mechanics.

Authors : Guoqing Zhou; Lubbers, Nicholas; Barros, Kipton

Subjects: DEEP learning; QUANTUM mechanics; AB-initio calculations

Source: Proceedings of the National Academy of Sciences of the United States of America; 7/5/2022, Vol. 119 Issue 27, p1-10, 33p

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Academic Journal

Experimental and theoretical evidence for bilayer-by-bilayer surface melting of crystalline ice

Authors : Sánchez, M Alejandra; Kling, Tanja; Ishiyama, Tatsuya

Subjects: Physical Sciences; Chemical Sciences; Physical Chemistry

Source: Proceedings of the National Academy of Sciences of the United States of America. 114(2)

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