Concepedia

Orbital Occupancy Rules

Orbital Occupancy Rules is a theoretical framework that specifies the principles governing the distribution of electrons among atomic orbitals according to quantum mechanical constraints, including the Pauli exclusion principle, Hund’s rule, and the Aufbau principle.

22

Publications

1.8K

Citations

114

Authors

42

Institutions

Publications per year

2017–2026

6

Parents

Publications

22

Control of the metal–insulator transition in vanadium dioxide by modifying orbital occupancy

Naga Phani B. Aetukuri, A. X. Gray, Marc Drouard et al. · Nature Physics · 2013 · 578 citations

, , +16

Surface symmetry-breaking and strain effects on orbital occupancy in transition metal perovskite epitaxial films

David Pesquera, G. Herranz, A. Barla et al. · Nature Communications · 2012 · 329 citations · Full text

, , +16

Population analysis based on occupation numbers of modified atomic orbitals (MAOs)

Rolf Heinzmann, Reinhart Ahlrichs · Theoretical Chemistry Accounts · 1976 · 281 citations

, , +8

Optimized orbital occupancy of transition metal in spinel Ni-Co oxides with heteroatom doping for Aprotic Li-O2 battery

Long‐Fei Ren, Ruixin Zheng, Dayue Du et al. · Chemical Engineering Journal · 2021 · 74 citations

, , +17

NiMn-based metal-organic framework with optimized eg orbital occupancy as efficient bifunctional electrocatalyst for lithium-oxygen batteries

Xinxiang Wang, Dayue Du, Haoyang Xu et al. · Chemical Engineering Journal · 2022 · 65 citations

, , +15

1–5 of 22

Authors

114

  1. CS
    Chaozhu Shu

    Chengdu University of Technology, China

    3 publications · 158 citations

    3

    h-index

  2. JL
    Jianping Long

    Chengdu University of Technology, China

    2 publications · 47 citations

    2

    h-index

  3. HX
    Haoyang Xu

    Chengdu University of Technology, China

    2 publications · 84 citations

    2

    h-index

  4. BZ
    Bo Zhou

    Wuhan University, China

    2 publications · 47 citations

    2

    h-index

  5. LR
    Long‐Fei Ren

    Shanghai Jiao Tong University, China

    2 publications · 139 citations

    2

    h-index

1–5 of 114

Institutions

42

  1. Chengdu University of Technology

    Chengdu, China

    4 h-index

    31 publications

    1.3K citations

  2. Oak Ridge National Laboratory

    Oak Ridge, United States

    2 h-index

    13 publications

    305 citations

  3. Atomic Weapons Establishment

    Reading, United Kingdom

    1 h-index

    1 publications

    37 citations

  4. Bar-Ilan University

    Ramat Gan, Israel

    1 h-index

    1 publications

    14 citations

  5. Stanford Synchrotron Radiation Lightsource

    Menlo Park, United States

    1 h-index

    1 publications

    578 citations

  6. Indiana University Bloomington

    Bloomington, United States

    1 h-index

    6 publications

    174 citations

  7. Queen's University

    Kingston, Canada

    1 h-index

    3 publications

    42 citations

  8. Seoul National University

    Seoul, South Korea

    1 h-index

    3 publications

    105 citations

1–8 of 42

Venues

  1. The Journal of Chemical Physics

    2 publications · 33 citations

    2

    h-index

  2. Chemical Engineering Journal

    2 publications · 139 citations

    2

    h-index

  3. Applied Catalysis B: Environmental

    1 publications · 23 citations

    1

    h-index

  4. Scientific Reports

    1 publications · 35 citations

    1

    h-index

  5. 1

    h-index

1–5