Showing 1 - 20 results of 64 for search 'PRINCIPLES OF PHYSICAL CHEMISTRY', query time: 0.71s Refine Results
  1. 1
    First principles based fuel design: investigating fuel properties and combustion chemistry
    by Ahmed, Ahfaz
    Published 2018
    Subjects: “...physical...”
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  2. 2
    Crystallization of organic molecules onto functionalized surfaces
    by Quist, Florence
    Published 2009
    Subjects: “...Chemistry - Physical...”
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    Others
  3. 3
    Surface effects on charge carrier dynamics in semiconductor quantum dots
    by Tyagi, Pooja
    Published 2013
    Subjects: “...Chemistry - Physical...”
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  4. 4
    Unravelling the excitonics of semiconductor nanocrystals an effort in guiding the design of novel structures for optoelectronic applications through spectroscopy
    by Saari, Jonathan
    Published 2014
    Subjects: “...Chemistry - Physical...”
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    Others
  5. 5
    Monte Carlo Electromagnetic Cross Section Production Method for Low Energy Charged Particle Transport Through Single Molecules
    by Madsen, Jonathan R
    Published 2013
    Subjects: “...nuclear physics...”
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    Others
  6. 6
    Elementary steps in aqueous proton transfer reactions : a first principles molecular dynamics study
    by Thomas, Vibin
    Published 2013
    Subjects: “...Chemistry - Physical / Chimie - Physique (UMI : 0494)...”
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  7. 7
    Elementary steps in aqueous proton transfer reactions : a first principles molecular dynamics study
    by Thomas, Vibin
    Published 2013
    Subjects: “...Chemistry - Physical / Chimie - Physique (UMI : 0494)...”
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  8. 8
    Protein design automation : principles and practice
    by Dahiyat, Bassil I.
    Published 1998
    “... coupling theory, computation, and experiment has improved our understanding of the physical chemistry...”
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  9. 9
    Combining Similarity Transformed Equation of Motion Coupled Cluster (STEOM-CC), Vibronic Coupling models, and Spin-Orbit Coupling: Towards a First Principle Description of Intersystem Crossing
    by Sous, John
    Published 2013
    Subjects: “...Chemistry...”
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  10. 10
    Combining Similarity Transformed Equation of Motion Coupled Cluster (STEOM-CC), Vibronic Coupling models, and Spin-Orbit Coupling: Towards a First Principle Description of Intersystem Crossing
    by Sous, John
    Published 2013
    Subjects: “...Chemistry...”
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  11. 11
    The molecular structure of selected South African coal-chars to elucidate fundamental principles of coal gasification / Mokone Joseph Roberts
    by Roberts, Mokone Joseph
    Published 2016
    Subjects: “...Computational chemistry...”
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  12. 12
    The molecular structure of selected South African coal-chars to elucidate fundamental principles of coal gasification / Mokone Joseph Roberts
    by Roberts, Mokone Joseph
    Published 2016
    Subjects: “...Computational chemistry...”
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  13. 13
    Reticular Chemistry for the Rational Design of Intricate Metal-Organic Frameworks
    by Jiang, Hao
    Published 2018
    Subjects: “...Reticular Chemistry...”
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  14. 14
    First principles simulations : development of new density functionals and pseudopotentials and formation mechanism of fullerenes
    by Hua, Xinlei
    Published 1996
    “... state physics, while Chapter 4 develops the Ab initio version used mostly in chemistry. Part II also...”
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  15. 15
    I. Molecular simulations of buckyball fullerenes. II. Quantum chemistry studies on high-T_c superconductors.
    by Guo, Yuejin
    Published 1992
    “...Part I. In order to interpret and predict the unusual chemical and physical properties of the C_(60...”
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    Others
  16. 16
    Development of new embedding techniques for strongly correlated electrons : from in-principle-exact formulations to practical approximations.
    by Senjean, Bruno
    Published 2018
    “... of the art in quantum chemistry and in condensed matter physics, a new hybrid method so-called ``site...”
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  17. 17
    Optimization of molecular and crystalline forms of drugs, agrochemicals, pesticides in relation to activity, bioavailability, patentability and to the fabrication of polymorphs, solvates, co-crystals with green chemistry methods
    by Nanna, Saverio <1985>
    Published 2015
    “... to green chemistry principles. Part of this project was developed in collaboration with chemical...”
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    Doctoral Thesis
  18. 18
    Strain-Promoted Alkyne-Nitrone Cycloadditions: Developing Bioorthogonal Labelling Strategies
    by MacKenzie, Douglas Allan
    Published 2015
    Subjects: “...Click Chemistry...”
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  19. 19
    Towards the nanomechanical actuation and controlled assembly of nanomaterials using charge-transfer reactions in electroactive self-assembled monolayers
    by Norman, Lana
    Published 2012
    Subjects: “...Chemistry - Physical / Chimie - Physique (UMI : 0494)...”
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  20. 20
    Towards the nanomechanical actuation and controlled assembly of nanomaterials using charge-transfer reactions in electroactive self-assembled monolayers
    by Norman, Lana
    Published 2012
    Subjects: “...Chemistry - Physical / Chimie - Physique (UMI : 0494)...”
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