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Showing 41 - 60 results of 60 for search '"Quantum chemistry"' Refine Results
  1. 41
    Research Data for "Quantification of the ionic character of multiconfigurational wave functions: the Qta diagnostic"
    Subjects: '; “...Quantum chemistry...”
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  2. 42
    Charge transfer processes in condensed media.
    by Ulstrup, Jens
    Published 1979
    Subjects: '; “...Quantum chemistry...”
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  3. 43
    Density-functional theory of atoms and molecules / Robert G. Parr and Weitao Yang.
    by Parr, Robert G., 1921-
    Published 1994
    Edition: Pbk ed.
    Subjects: '; “...Quantum chemistry....”
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  4. 44
    New analysis tools for excited-state quantum chemistry: Turning numbers into chemical insight
    by Felix Plasser
    Published 2021
    Subjects: '; “...Quantum Chemistry...”
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  5. 45
    Research Data for "Functional Group Introduction and Aromatic Unit Variation in a Set of π-Conjugated Macrocycles: Revealing the Central Role of Local and Global Aromaticity"
    by Felix Plasser
    Published 2021
    Subjects: '; “...Theoretical quantum chemistry...”
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  6. 46
    Many-body methods for atoms, molecules and clusters / Jochen Schirmer.
    by Schirmer, Jochen
    Published 2018
    Subjects: '; “...Quantum chemistry Mathematics....”
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  7. 47
    Computational Research Data for: "Expedient Synthesis and Luminescence Sensing of the Inositol Pyrophosphate Cellular Messenger 5-PP-InsP5"
    by Felix Plasser
    Published 2022
    Subjects: '; “...Quantum Chemistry...”
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  8. 48
    Calculation of NMR and EPR parameters : theory and applications / edited by Martin Kaupp, Vladimir G. Malkin and Michael Bühl.
    Published 2004
    Subjects: '; “...Quantum chemistry...”
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  9. 49
    Research Data for "Exploitation of Baird aromaticity and Clar's rule for tuning the triplet energies of polycyclic aromatic hydrocarbons"
    by Felix Plasser
    Published 2021
    Subjects: '; “...Theoretical quantum chemistry...”
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  10. 50
    Research Data for "The role of excited-state character, structural relaxation, and symmetry breaking in enabling delayed fluorescence activity in push-pull chromophores"
    by Felix Plasser, Patrick Kimber
    Published 2021
    Subjects: '; “...Theoretical quantum chemistry...”
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  11. 51
    Advanced quantum technologies
    Subjects: '; “...Quantum chemistry Periodicals....”
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  12. 52
    Computational inorganic and bioinorganic chemistry / editors, Edward I. Solomon, Robert A. Scott, R Bruce King.
    Published 2009
    Edition: 1st ed.
    Subjects: '; “...Quantum chemistry....”
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  13. 53
    libwfa: Wavefunction analysis tools for excited and open‐shell electronic states
    Subjects: '; “...quantum chemistry...”
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  14. 54
    The mathematical theory of thermodynamic limits : Thomas-Fermi type models / Isabelle Catto, Claude Le Bris, Pierre-Louis Lions.
    by Catto, Isabelle
    Published 1998
    Subjects: '; “...Quantum chemistry...”
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  15. 55
    Supplementary Information Files for: libwfa: Wavefunction analysis tools for excited and open‐shell electronic states
    Subjects: '; “...quantum chemistry...”
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  16. 56
    Visualisation of electronic excited-state correlation in real space
    by Felix Plasser
    Published 2019
    Subjects: '; “...Quantum chemistry...”
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  17. 57
    Computational chemistry : introduction to the theory and applications of molecular and quantum mechanics / Errol Lewars.
    by Lewars, Errol
    Published 2003
    Subjects: '; “...Quantum chemistry Computer simulation...”
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  18. 58
    Data for the article: Chlorine activated stacking fault removal mechanism in thin film CdTe solar cells: the missing piece
    Subjects: '; “...Theoretical quantum chemistry...”
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  19. 59
    Quantum design of ionic liquids for extreme chemical inertness and a new theory of the glass transition
    Subjects: '; “...Quantum chemistry...”
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  20. 60
    High temperature supercapacitors
    by Victoria J. Black
    Published 2013
    Subjects: '; “...Quantum chemistry...”
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