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Journal of Chemical Theory and Computation
|
November 4, 2021
A Universal Force Field for Materials, Periodic GFN-FF: Implementation and Examination
Julian D Gale, Luc M LeBlanc, Peter R Spackman, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 6, 2021
Simulating the binding of key organic functional groups to aqueous calcium carbonate species
Alicia Schuitemaker, Julie Aufort, Katarzyna B Koziara, et al.
Journal of Chromatography. A
|
July 9, 2011
Separation of 18α(H)-, 18β(H)-oleanane and lupane by comprehensive two-dimensional gas chromatography
Christiane Eiserbeck, Robert K Nelson, Kliti Grice, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 20, 2016
Entropy Drives Calcium Carbonate Ion Association
Matthias Kellermeier, Paolo Raiteri, John K Berg, et al.
Polymers
|
March 11, 2023
Crosslinking Rapidly Cured Epoxy Resin Thermosets: Experimental and Computational Modeling and Simulation Study
Ahmed Al-Qatatsheh, Jaworski C Capricho, Paolo Raiteri, et al.
Dalton Transactions (Cambridge, England : 2003)
|
August 2, 2016
Negatively charged Ir(iii) cyclometalated complexes containing a chelating bis-tetrazolato ligand: synthesis, photophysics and the study of reactivity with electrophiles
Valentina Fiorini, Stefano Zacchini, Paolo Raiteri, et al.
Angewandte Chemie (International Ed. in English)
|
March 22, 2008
Unravelling the shuttling mechanism in a photoswitchable multicomponent bistable rotaxane
Paolo Raiteri, Giovanni Bussi, Clotilde S Cucinotta, et al.
ACS Physical Chemistry Au
|
March 27, 2023
Revisiting the Conformational Isomerism of Dihaloethanes: A Hybrid Computational and Experimental Laboratory for the Undergraduate Curriculum
Blake I Armstrong, Meg Willans, Emma L Pearson, et al.
Journal of the American Chemical Society
|
September 13, 2016
A Supramolecular Ice Growth Inhibitor
Ran Drori, Chao Li, Chunhua Hu, et al.
Physical Review Letters
|
October 2, 2009
Superionic conduction in substoichiometric LiAl alloy: an ab initio study
Clotilde S Cucinotta, Giacomo Miceli, Paolo Raiteri, et al.
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Search research articles
Search
Showing results (31-40 of 62) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
November 4, 2021
A Universal Force Field for Materials, Periodic GFN-FF: Implementation and Examination
Julian D Gale, Luc M LeBlanc, Peter R Spackman, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 6, 2021
Simulating the binding of key organic functional groups to aqueous calcium carbonate species
Alicia Schuitemaker, Julie Aufort, Katarzyna B Koziara, et al.
Journal of Chromatography. A
|
July 9, 2011
Separation of 18α(H)-, 18β(H)-oleanane and lupane by comprehensive two-dimensional gas chromatography
Christiane Eiserbeck, Robert K Nelson, Kliti Grice, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 20, 2016
Entropy Drives Calcium Carbonate Ion Association
Matthias Kellermeier, Paolo Raiteri, John K Berg, et al.
Polymers
|
March 11, 2023
Crosslinking Rapidly Cured Epoxy Resin Thermosets: Experimental and Computational Modeling and Simulation Study
Ahmed Al-Qatatsheh, Jaworski C Capricho, Paolo Raiteri, et al.
Dalton Transactions (Cambridge, England : 2003)
|
August 2, 2016
Negatively charged Ir(iii) cyclometalated complexes containing a chelating bis-tetrazolato ligand: synthesis, photophysics and the study of reactivity with electrophiles
Valentina Fiorini, Stefano Zacchini, Paolo Raiteri, et al.
Angewandte Chemie (International Ed. in English)
|
March 22, 2008
Unravelling the shuttling mechanism in a photoswitchable multicomponent bistable rotaxane
Paolo Raiteri, Giovanni Bussi, Clotilde S Cucinotta, et al.
ACS Physical Chemistry Au
|
March 27, 2023
Revisiting the Conformational Isomerism of Dihaloethanes: A Hybrid Computational and Experimental Laboratory for the Undergraduate Curriculum
Blake I Armstrong, Meg Willans, Emma L Pearson, et al.
Journal of the American Chemical Society
|
September 13, 2016
A Supramolecular Ice Growth Inhibitor
Ran Drori, Chao Li, Chunhua Hu, et al.
Physical Review Letters
|
October 2, 2009
Superionic conduction in substoichiometric LiAl alloy: an ab initio study
Clotilde S Cucinotta, Giacomo Miceli, Paolo Raiteri, et al.
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of 7