Electronic Effects | List of Frontiers open access 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

3,794 views
2 citations

Original Research

Published on 23 Aug 2019

Catalyst-Dependent Chemoselectivity in the Dirhodium-Catalyzed Cyclization Reactions Between Enodiazoacetamide and Nitrosoarene: A Theoretical Study

in Theoretical and Computational Chemistry

Yan Zhang
Yongsheng Yang
Ruyu Zhu
Xingyu Wang
Ying Xue

Frontiers in Chemistry

doi 10.3389/fchem.2019.00586

3,868 views
8 citations

Review

Published on 13 Dec 2019

Could Quantum Mechanical Properties Be Reflected on Classical Molecular Dynamics? The Case of Halogenated Organic Compounds of Biological Interest

in Theoretical and Computational Chemistry

Lucas de Azevedo Santos
Ingrid G. Prandi
Teodorico C. Ramalho

Frontiers in Chemistry

doi 10.3389/fchem.2019.00848

6,682 views
16 citations

Original Research

Published on 15 Apr 2025

Effects of electronic excitation on cascade dynamics in tungsten

in Chemical Physics and Physical Chemistry

Shaoding Sheng
Shuwan Wei
Chengling Zhang
Chao Zhang
Guo Pu
Bing-Sheng Li

Frontiers in Physics

doi 10.3389/fphy.2025.1592186

1,980 views

Original Research

Published on 19 Sep 2019

Size, Composition, and Support-Doping Effects on Oxygen Reduction Activity of Platinum-Alloy and on Non-platinum Metal-Decorated-Graphene Nanocatalysts

in Catalysis and Photocatalysis

Tamara Lozano
Rees B. Rankin

Frontiers in Chemistry

doi 10.3389/fchem.2019.00610

4,268 views
4 citations

Original Research

Published on 05 Jun 2019

Electronic Effects of Substituents on fac-M(bpy-R)(CO)3 (M = Mn, Re) Complexes for Homogeneous CO2 Electroreduction

in Inorganic Chemistry

Laura Rotundo
Emanuele Azzi
Annamaria Deagostino
Claudio Garino
Luca Nencini
Emanuele Priola
Pierluigi Quagliotto
Riccardo Rocca
Roberto Gobetto
Carlo Nervi

Frontiers in Chemistry

doi 10.3389/fchem.2019.00417

10,752 views
35 citations

Original Research

Published on 15 Mar 2023

Reactivity of non-organometallic ruthenium(II) polypyridyl complexes and their application as catalysts for hydride transfer reactions

in Inorganic Chemistry

Marta Chrzanowska
Anna Katafias
Rudi van Eldik

Frontiers in Chemistry

doi 10.3389/fchem.2023.1150164

3,416 views
4 citations

Articles

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

Catalyst-Dependent Chemoselectivity in the Dirhodium-Catalyzed Cyclization Reactions Between Enodiazoacetamide and Nitrosoarene: A Theoretical Study

Could Quantum Mechanical Properties Be Reflected on Classical Molecular Dynamics? The Case of Halogenated Organic Compounds of Biological Interest

Effects of electronic excitation on cascade dynamics in tungsten

Size, Composition, and Support-Doping Effects on Oxygen Reduction Activity of Platinum-Alloy and on Non-platinum Metal-Decorated-Graphene Nanocatalysts

Electronic Effects of Substituents on fac-M(bpy-R)(CO)3 (M = Mn, Re) Complexes for Homogeneous CO2 Electroreduction

Reactivity of non-organometallic ruthenium(II) polypyridyl complexes and their application as catalysts for hydride transfer reactions