Results 101 to 110 of about 38,282 (168)

Impact of correlations on nuclear binding energies: Ab initio calculations of singly and doubly open-shell nuclei. [PDF]

Eur Phys J A Hadron Nucl
Scalesi A, Duguet T, Demol P, Frosini M, Somà V, Tichai A.   +5 more
europepmc   +1 more source

Production of Ultracold XOH (X = Ca, Sr, Ba) Molecules by Direct Laser Cooling: A Theoretical Study Based on Accurate Ab Initio Calculations. [PDF]

Molecules
Wei J, Li P, Wu J, Li Y, Liu W, Fu Y, Ma J.   +6 more
europepmc   +1 more source

Capturing Free-Radical Polymerization by Synergetic Ab Initio Calculations and Topological Reactive Molecular Dynamics. [PDF]

Macromolecules, 2022
Monteferrante M, Tiribocchi A, Succi S, Pisignano D, Lauricella M.   +4 more
europepmc   +1 more source

Synergy of Experiment and Broadened Exploration of Ab Initio Calculations for Understanding of Lanthanide-Pentacyanidocobaltate Molecular Nanomagnets and Their Optical Properties. [PDF]

Inorg Chem
Zychowicz M, Dzielak H, Rzepiela J, Chorazy S.   +3 more
europepmc   +1 more source

Ab Initio Calculations on the Structural and Electronic Properties of AgAu Alloys. [PDF]

ACS Omega, 2020
Cao Long V, Duong Quoc V, Nguyen Trong D.   +2 more
europepmc   +1 more source

Studying the Hemibond: High-Level <i>Ab Initio</i> Calculations on Complexes of Atomic Fluorine with Halogenated Organic Molecules. [PDF]

J Phys Chem A
Bucher G.
europepmc   +1 more source

Adsorption and Dissociation of Ni(acac)₂ on Iron by Ab Initio Calculations. [PDF]

J Phys Chem A, 2020
Corsini C, Peeters S, Righi MC.
europepmc   +1 more source

Theoretical Study of Ground-State Barium-Rare Gas Van der Waals Complexes: Combining Rule Modeling and Ab Initio Calculations. [PDF]

ACS Omega
Saidi S, Bejaoui M, Berriche H.
europepmc   +1 more source

Dynamics Studies of Nitrogen Interstitial in GaN from Ab Initio Calculations. [PDF]

Materials (Basel), 2020
He H, Liu W, Zhang P, Liao W, Tong D, Yang L, He C, Zang H, Zong H.   +8 more
europepmc   +1 more source

Improved Approach for ab Initio Calculations of Rate Coefficients for Secondary Reactions in Acrylate Free-Radical Polymerization. [PDF]

Polymers (Basel)
Lugo FA, Edeleva M, Van Steenberge PHM, Sabbe MK.   +3 more
europepmc   +1 more source