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  1. 141
    First-Principles View on Photoelectrochemistry: Water-Splitting as Case Study
    by Anders Hellman, Baochang Wang
    Published 2017-06-01
    Subjects: “...first-principles...”
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    Article
  2. 142
    Design Principles of Artificial Solid Electrolyte Interphases for Lithium-Metal Anodes
    by Zhiao Yu, Yi Cui, Zhenan Bao
    Published 2020-07-01
    “...Cell Reports Physical Science...”
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    Article
  3. 143
    First-Principles study of Structural, Elastic and Electronic Properties of AlN and GaN Semiconductors under Pressure Effect and Magnetism in AlN:Mn and GaN:Mn systems
    by Kanoun, Mohammed Benali
    Published 2004
    Subjects: “...[CHIM:MATE] Chemical Sciences/Material chemistry...”
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  4. 144
    The identification of barbiturates by attenuated total reflectance
    by Lewis, Robert
    Published 1972
    Subjects: “...Chemistry...”
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  5. 145
    A deep investigation of NiO and MnO through the first principle calculations and Monte Carlo simulations
    by Alaei, M., Karimi, H.
    Published 2023
    Subjects: “...First principle calculations...”
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    Article
  6. 146
    A consistent molecular hydrogen isotope chemistry scheme based on an independent bond approximation
    by M. C. Krol, T. Röckmann, G. Pieterse
    Published 2009-11-01
    “...Atmospheric Chemistry and Physics...”
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    Article
  7. 147
    Isotope effects in N<sub>2</sub>O photolysis from first principles
    by R. Schinke, M. S. Johnson, J. A. Schmidt
    Published 2011-09-01
    “...Atmospheric Chemistry and Physics...”
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    Article
  8. 148
    First-Principles Monte Carlo Simulations of Reaction Equilibria in Compressed Vapors
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  9. 149
    Principles and Applications of Vibrational Spectroscopic Imaging in Plant Science: A Review
    “... of photosynthesis. Included is a brief introduction to the physical, instrumental, and data-analytical background...”
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    Article
  10. 150
    Electrocatalytic carbon dioxide reduction: from fundamental principles to catalyst design
    “... to electrocatalysis, the electrical double layer, physical and chemical properties of CO2, the interaction of CO2...”
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    Article
  11. 151
    Using Principles of Inherent Safety for Design of Hydrometallurgical Solvent Extraction Plants
    by L. Moore
    Published 2013-05-01
    “... or processes through changes in the chemistry, physics and physical design of a process rather than by relying...”
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    Article
  12. 152
    Principles and applications of affinity capillary electrophoresis based on mass transfer equation
    by Fang, Ning
    Published 2010
    “... behaviors of chemical/physical systems. The simulation model of dynamic complexation capillary...”
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  13. 153
    Theoretical studies of molecular machines
    by Akimov, Alexey V.
    Published 2013
    Subjects: “...Physical chemistry...”
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  14. 154
    Variational Principle Techniques and the Propertiesof a Cut-off and Anharmonic Wave Function
    “...E-Journal of Chemistry...”
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    Article
  15. 155
    Landauer’s Principle in a Quantum Szilard Engine without Maxwell’s Demon
    by Alhun Aydin, Altug Sisman, Ronnie Kosloff
    Published 2020-03-01
    “...;s principle resolves the apparent paradoxes. Here we propose a Szilard engine setup without featuring...”
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    Article
  16. 156
    A first principles method to determine speciation of carbonates in supercritical water
    by Ding Pan, Giulia Galli
    Published 2020-01-01
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    Article
  17. 157
    Screening of perovskite materials for solar cell applications by first-principles calculations
    by Wenhua Pu, Wei Xiao, Jianwei Wang, Xiaowu Li, Ligen Wang
    Published 2021-01-01
    Subjects: “...First-principles calculations...”
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    Article
  18. 158
    Kinetics and Reaction Mechanisms for Methylidyne Radical Reactions with Small Hydrocarbons
    by Ribeiro, Joao Marcelo Lamim
    Published 2016
    Subjects: “...Physical Chemistry...”
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  19. 159
    The Effect of Oxidation and Support on TiO2(110)-Supported Pdn (n=1-7) Clusters
    by Ong, S. Vincent
    Published 2011
    Subjects: “...Chemistry...”
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  20. 160
    Software engineering principles: A systematic mapping study and a quantitative literature review
    by Khalid T. Al-Sarayreh, Kenza Meridji, Alain Abran
    Published 2021-06-01
    Subjects: “...Software engineering principles...”
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    Article
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