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4 articles related to "Ab Initio Calculation"

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Articles

Original Research

Published on 14 Dec 2021

Theoretical Insight Into Diamond Doping and Its Possible Effect on Diamond Tool Wear During Cutting of Steel

in Computational Materials Science

Li Hao
Sergei Manzhos
Zhijun Zhang

Frontiers in Materials

doi 10.3389/fmats.2021.806466

3,795 views
2 citations

Original Research

Published on 05 Aug 2021

Intrinsic Complex Vacancy-Induced d0 Magnetism in Ca2Nb2O7 PLD Film

in Quantum Materials

Linjie Wu
Yongjia Zhang
Zhongquan Nie
Ensi Cao

Frontiers in Materials

doi 10.3389/fmats.2021.736011

2,374 views
2 citations

Review

Published on 09 May 2025

Nuclear radii from first principles

in Nuclear Physics

Takayuki Miyagi

Frontiers in Physics

doi 10.3389/fphy.2025.1581854

3,214 views
3 citations

Original Research

Published on 06 Oct 2025

Theoretical study of spin-orbit coupling and laser cooling for HBr molecule with first-overtone spectral calculations

in Atomic and Molecular Physics

Khadija Yassine
Nayla El-Kork
Nariman Abu El Kher
Ghassan Younes
Mahmoud Korek

Frontiers in Physics

doi 10.3389/fphy.2025.1635859

2,429 views
1 citation