Results 131 to 140 of about 649,766 (178)

Exploring the Adsorption Properties of Small Molecules on CeZr-Based Nanoclusters. [PDF]

ACS Omega
Bezerra RC, Calderan FV, Felício-Sousa P, Peraça CST, Quiles MG, Da Silva JLF.   +5 more
europepmc   +1 more source

Data-Driven Improvement of Local Hybrid Functionals: Neural-Network-Based Local Mixing Functions and Power-Series Correlation Functionals. [PDF]

J Chem Theory Comput
Wodyński A, Glodny K, Kaupp M.
europepmc   +1 more source

Application of the Adiabatic Connection Random Phase Approximation to Electron-Nucleus Hyperfine Coupling Constants. [PDF]

J Phys Chem A
Bruder F, Weigend F, Franzke YJ.
europepmc   +1 more source

Plasmonic Hot-Carrier Generation and Catalysis in Ti₃C₂O₂ from Real-Time TDDFT Simulations. [PDF]

Nano Lett
Zhang N, Sun S, Wang B.
europepmc   +1 more source

Defect-Engineered Graphene Nanoribbons for Enhanced DNA Sequencing: A Study of Structural Defects and Their Impact on Nucleobase Interaction and Quantum Transport. [PDF]

J Phys Chem B
Kumawat RL, Jha SK, Tayo BO, Sherrill CD.   +3 more
europepmc   +1 more source

Understanding the Core Limitations of Second-Order Correlation-Based Functionals Through: Functional, Orbital, and Eigenvalue-Driven Analysis. [PDF]

J Chem Theory Comput
Singh A, Fabiano E, Śmiga S.
europepmc   +1 more source

Anharmonic Stabilization and Thermoelectric Transport in Ba<i>BX</i> ₃ (<i>B</i> = Zr, Hf; <i>X</i> = S, Se) Perovskites. [PDF]

ACS Omega
Shafique A, Hussain A, Abbout A, Elatresh SF.   +3 more
europepmc   +1 more source

Tunable electronic and optical properties of Ru₂S₂X (X = Si, Ge, Sn, Pb) monolayers. [PDF]

Sci Rep
Herabad SR, Mohebpour MA, Soleimani HR.
europepmc   +1 more source

Extending the applicability of the local and semilocal convergence of Newton’s method

Applied Mathematics and Computation, 2017
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Ioannis K Argyros, A Alberto Magreñán
exaly   +4 more sources