المؤلفون: Yu, Feng¹ (AUTHOR) fengyu@xatu.edu.cn

المصدر: Journal of Chemical Physics. 6/7/2024, Vol. 160 Issue 21, p1-5. 5p.

مصطلحات موضوعية: *DENSITY functionals, *SURFACE interactions, *INFLECTION (Grammar)

مصطلحات جغرافية: MINNESOTA

المؤلفون: Fuglsbjerg, Juliane H.¹ (AUTHOR) jf@chem.ku.dk, Nagy, Dániel¹ (AUTHOR), Jensen, Hans Jørgen Aa.² (AUTHOR), Sauer, Stephan P. A.¹ (AUTHOR)

المصدر: Journal of Chemical Physics. 5/28/2024, Vol. 160 Issue 20, p1-18. 18p.

مصطلحات موضوعية: *DENSITY functionals, *DENSITY functional theory, *ELECTRONIC excitation, *REFERENCE values

المؤلفون: Singh, Yashpal¹ (AUTHOR), Peralta, Juan E.² (AUTHOR), Jackson, Koblar A.² (AUTHOR) jacks1ka@cmich.edu

المصدر: Journal of Chemical Physics. 3/28/2024, Vol. 160 Issue 12, p1-11. 11p.

مصطلحات موضوعية: *DENSITY functionals, *BOND prices, *DENSITY functional theory, *CHEMICAL reactions, *FUNCTIONALS

المؤلفون: Falletta, Stefano¹ (AUTHOR) stefanofalletta@g.harvard.edu, Pasquarello, Alfredo¹ (AUTHOR)

المصدر: Journal of Applied Physics. 4/7/2024, Vol. 135 Issue 13, p1-7. 7p.

مصطلحات موضوعية: *DENSITY functionals, *POLARONS

المؤلفون: Farris, Riccardo¹ (AUTHOR), Merinov, Boris V.² (AUTHOR), Bruix, Albert¹ (AUTHOR), Neyman, Konstantin M.^1,3 (AUTHOR) konstantin.neyman@icrea.cat

المصدر: Journal of Chemical Physics. 3/28/2024, Vol. 160 Issue 12, p1-9. 9p.

مصطلحات موضوعية: *DOPING agents (Chemistry), *DENSITY functionals, *PROTON exchange membrane fuel cells, *CATALYSIS, *DENSITY functional theory

المؤلفون: Ning, Jinliang¹ (AUTHOR) jning1@tulane.edu, Lane, Christopher² (AUTHOR), Barbiellini, Bernardo^3,4 (AUTHOR), Markiewicz, Robert S.⁴ (AUTHOR), Bansil, Arun⁴ (AUTHOR), Ruzsinszky, Adrienn¹ (AUTHOR) aruzsin@tulane.edu, Perdew, John P.¹ (AUTHOR) perdew@tulane.edu, Sun, Jianwei¹ (AUTHOR) jsun@tulane.edu

المصدر: Journal of Chemical Physics. 2/14/2024, Vol. 160 Issue 6, p1-9. 9p.

مصطلحات موضوعية: *DENSITY functionals, *LATTICE dynamics, *MATERIALS science, *CUPRATES, *PHONONS, *SUPERCONDUCTIVITY

المؤلفون: Pavlicek, Abigail¹ (AUTHOR), Windom, Zachary W.¹ (AUTHOR), Perera, Ajith¹ (AUTHOR), Bartlett, Rodney J.¹ (AUTHOR) bartlett@qtp.ufl.edu

المصدر: Journal of Chemical Physics. 1/7/2024, Vol. 160 Issue 1, p1-6. 6p.

مصطلحات موضوعية: *FUNCTIONALS, *SMALL molecules, *DENSITY functionals, *DENSITY functional theory, *ELECTRON affinity

المؤلفون: Arismendi-Arrieta, Daniel J.¹ (AUTHOR), Sen, Anik¹ (AUTHOR), Eriksson, Anders¹ (AUTHOR), Broqvist, Peter¹ (AUTHOR), Kullgren, Jolla¹ (AUTHOR), Hermansson, Kersti¹ (AUTHOR) kersti@kemi.uu.se

المصدر: Journal of Chemical Physics. 11/21/2023, Vol. 159 Issue 19, p1-15. 15p.

مصطلحات موضوعية: *DENSITY functionals, *FUNCTIONAL assessment, *DENSITY functional theory, *ICE crystals, *FUNCTIONALS, *ICE, *ENERGY consumption

المؤلفون: Mazo-Sevillano, Pablo del^1,2 (AUTHOR) pablo.delmazo@uam.es, Hermann, Jan^2,3 (AUTHOR)

المصدر: Journal of Chemical Physics. 11/21/2023, Vol. 159 Issue 19, p1-11. 11p.

مصطلحات موضوعية: *DENSITY functionals, *VARIATIONAL principles, *ARTIFICIAL neural networks, *ELECTRON kinetic energy, *ELECTRON density, *FUNCTIONALS

المؤلفون: Wittmann, Lukas¹ (AUTHOR), Neugebauer, Hagen¹ (AUTHOR), Grimme, Stefan¹ (AUTHOR), Bursch, Markus² (AUTHOR) bursch@kofo.mpg.de

المصدر: Journal of Chemical Physics. 12/14/2023, Vol. 159 Issue 22, p1-15. 15p.

مصطلحات موضوعية: *FUNCTIONALS, *HARTREE-Fock approximation, *THERMOCHEMISTRY, *DATABASES

مصطلحات جغرافية: LONDON (England)