Results 1 to 10 of about 971,618 (331)
LECTURE NOTES ON THEORETICAL CHEMISTRY. [PDF]
Journal of the American Chemical Society, 1897 n ...
Charles H. Herty
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Theoretical and Computational Chemistry
CHIMIA, 2010 Computer-based and theoretical approaches to chemical problems can provide atomistic understanding of complex processes at the molecular level.
Markus Meuwly
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How Did the Tree of Knowledge Get Its Blossom? The Rise of Physical and Theoretical Chemistry, with an Eye on Berlin and Leipzig. [PDF]
Angew Chem Int Ed Engl, 2016 Friedrich B.
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My Adventures in Theoretical Chemistry [PDF]
Annual Review of Physical Chemistry, 1983 Joseph O. Hirschfelder
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Theoretical Challenges in Polaritonic Chemistry
ACS Photonics, 2022 14 pages main text, 11 pages bibliography, 3 ...
Fregoni, Jacopo +2 more
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Theoretical chemistry in Belgium [PDF]
Theoretical Chemistry Accounts, 2013 [Champagne, Benoit] Univ Namur, Dept Chem, Unit Phys Chem, Lab Theoret Chem, B-5000 Namur, Belgium. [Deleuze, Michael S.] Hasselt Univ, Res Grp Theoret Chem & Mol Modeling, B-3590 Diepenbeek, Belgium. [De Proft, Frank] Vrije Univ Brussel, Fac Wetenschappen, Eenheid Algemene Chem ALGC, B-1050 Brussels, Belgium. [Leyssens, Tom] Catholic Univ Louvain, Lab
Champagne, Benoît +3 more
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Molecules, 2022 In this paper, we introduce specific approximations to simplify the vibronic treatment in modeling absorption and emission spectra, allowing us to include a huge number of vibronic transitions in the calculations.
Cheng Giuseppe Chen +3 more
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Adsorption of 2,4,6-trichlorophenol on kaolinite: DFT calculations
Aceh International Journal of Science and Technology, 2017 The aim of this work is to explore the adsorption process of an organic pollutant the 2,4,6-trichlorophenol on the clay mineral (kaolinite) surface in order to identify the sites of adsorption as well as conformations corresponding to the lowest energies.
Sara Ghezali, Amina Mahdad-Benzerdjeb
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Energy transfer and trapping in photosystem I with and without chlorophyll-f
iScience, 2023 Summary: We establish a general kinetic scheme for energy transfer and trapping in the photosystem I (PSI) of cyanobacteria grown under white light (WL) or far-red light (FRL) conditions.
Ivo H.M. van Stokkum +5 more
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