Results 101 to 110 of about 120,755 (193)

Thermal Weight Determination and Interstate Coupling in State-Averaged ADAPT-VQE. [PDF]

J Chem Theory Comput
Grimsley HR, Evangelista FA.
europepmc   +1 more source

Carbonate anions and radicals induce interfacial water ordering in CO₂ electroreduction on gold. [PDF]

Nat Chem
Zhou YW, Ibáñez-Alé E, López N, Roldan Cuenya B, Kley CS.   +4 more
europepmc   +1 more source

Defect Characterization of the SiO₂/Si Interface Investigated by Drift-Assisted Positron Annihilation Lifetime Spectroscopy. [PDF]

Nanomaterials (Basel)
Helm R, Egger W, Corbel C, Sperr P, Butterling M, Wagner A, Liedke MO, Hirschmann E, Mitteneder J, Mayerhofer M, Lee K, Duesberg GS, Dollinger G, Dickmann M.   +13 more
europepmc   +1 more source

Assessment and Optimization of 2T Perovskite/CIGS Tandems via Data-Driven and Optoelectronic Modelling. [PDF]

Nanomicro Lett
Giliberti G, Farias-Basulto G, Jäger K, Mehlhop T, Kaufmann CA, Di Carlo A.   +5 more
europepmc   +1 more source

Extending the Flory-Huggins Theory for Crystalline Multicomponent Mixtures. [PDF]

Macromolecules
Siber M, Ronsin OJJ, Harting J.
europepmc   +1 more source

Chemical and Region Equilibria with Heterogeneous Fluids Using Classical Density Functional Theory. [PDF]

J Phys Chem B
Pereira IPS, Segtovich ISV, Castier M, Pacheco HP, Tavares FW.   +4 more
europepmc   +1 more source

Understanding Isotope Substitution Effects in Water Using the Potential Energy Landscape Formalism for Quantum Liquids. [PDF]

J Chem Theory Comput
Eltareb A, Zhou Y, Lopez GE, Giovambattista N.   +3 more
europepmc   +1 more source

Plasma screening in mid-charged ions observed by K-shell line emission. [PDF]

Sci Rep
Šmíd M, Humphries OS, Baehtz C, Bouffetier V, Brambrink E, Burian T, Cerantola V, Cho MS, Cowan TE, Gaus L, Gu MF, Hájková V, Juha L, Kaa J, Konopkova Z, Kozlová M, Le HP, Makita M, Pan X, Preston TR, Schropp A, Schwinkendorf JP, Scott HA, Štefaníková R, Vorberger J, Wang W, Zastrau U, Falk K.   +27 more
europepmc   +1 more source

Solvation strategies for free-energy calculations in a halogen-bonded complex: implicit, explicit, and machine learning approaches. [PDF]

Chem Sci
Vacek J, Vrška D, Manna D, Lo R, Hobza P.   +4 more
europepmc   +1 more source

Universal work extraction in quantum thermodynamics. [PDF]

Nat Commun
Watanabe K, Takagi R.
europepmc   +1 more source