Results 1 to 10 of about 411,217 (317)
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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Theoretical Chemistry Course for Students in Chemistry [PDF]
arXiv, 2021 In this work, the teaching content of a theoretical-chemistry (TC) course is reformed, establishing a theoretical contents from micro- to macro-system, and comprehensively introducing the theory of chemical reaction to undergraduate students in chemistry. In order to develop such TC course based on the general physical-chemistry course, we focus on the
arxiv +3 more sources
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 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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Theoretical Challenges in Polaritonic Chemistry
ACS Photonics, 2022 14 pages main text, 11 pages bibliography, 3 ...
Fregoni, Jacopo +2 more
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Protoplanetary Disk Chemistry [PDF]
Annual Review of Astronomy and Astrophysics 2023, 61:287-328, 2023 Planets form in disks of gas and dust around young stars. The disk molecular reservoirs and their chemical evolution affect all aspects of planet formation, from the coagulation of dust grains into pebbles, to the elemental and molecular compositions of the mature planet.
arxiv +1 more source
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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