Concepedia

Charge Descriptors

Charge Descriptors is a type of molecular descriptor that quantifies the distribution and magnitude of electric charges within a molecule to characterize its electronic structure and reactivity.

97

Publications

5.7K

Citations

316

Authors

145

Institutions

Publications per year

2017–2026

17

Parents

Publications

97

Electrophilicity-Based Charge Transfer Descriptor

J. Padmanabhan, Ramakrishnan Parthasarathi, V. Subramanian et al. · The Journal of Physical Chemistry A · 2007 · 578 citations

, , +5

Chemically Meaningful Atomic Charges That Reproduce the Electrostatic Potential in Periodic and Nonperiodic Materials

Thomas A. Manz, David S. Sholl · Journal of Chemical Theory and Computation · 2010 · 478 citations

, , +15

On the Metric of Charge Transfer Molecular Excitations: A Simple Chemical Descriptor

Ciro A. Guido, Pietro Cortona, Benedetta Mennucci et al. · Journal of Chemical Theory and Computation · 2013 · 454 citations

, , +17

Theoretical analysis of hydrocarbon properties. 1. Bonds, structures, charge concentrations, and charge relaxations

Kenneth B. Wiberg, Richard F. W. Bader, C. D. H. LAU · Journal of the American Chemical Society · 1987 · 291 citations

, , +14

Information Conservation Principle Determines Electrophilicity, Nucleophilicity, and Regioselectivity

Shubin Liu, Chuying Rong, Tian Lu · The Journal of Physical Chemistry A · 2014 · 218 citations

, , +8

1–5 of 97

Authors

316

  1. CA
    Carlo Adamo

    Chimie ParisTech, France

    3 publications · 526 citations

    3

    h-index

  2. PK
    Pratim Kumar Chattaraj

    Indian Institute of Technology Kharagpur, India

    3 publications · 623 citations

    3

    h-index

  3. MX
    Man Xiao

    Huazhong University of Science and Technology, China

    2 publications · 27 citations

    2

    h-index

  4. PP
    Peter Politzer

    University of New Orleans, United States

    2 publications · 238 citations

    2

    h-index

  5. SL
    Shubin Liu

    University of North Carolina at Chapel Hill, United States

    2 publications · 247 citations

    2

    h-index

1–5 of 316

Institutions

145

  1. Centre National de la Recherche Scientifique

    Paris, France

    6 h-index

    23 publications

    2.2K citations

  2. Indian Institute of Technology Kharagpur

    Kharagpur, India

    3 h-index

    8 publications

    2.4K citations

  3. Huazhong University of Science and Technology

    Wuhan, China

    3 h-index

    13 publications

    263 citations

  4. Chimie ParisTech

    Paris, France

    3 h-index

    11 publications

    822 citations

  5. University of Copenhagen

    Copenhagen, Denmark

    2 h-index

    4 publications

    131 citations

  6. Boğaziçi University

    Istanbul, Türkiye

    2 h-index

    4 publications

    152 citations

  7. Université Paris Sciences et Lettres

    Paris, France

    2 h-index

    10 publications

    368 citations

  8. Jagiellonian University

    Krakow, Poland

    2 h-index

    3 publications

    110 citations

1–8 of 145

Venues

  1. Journal of the American Chemical Society

    JACS · 7 publications · 849 citations

    7

    h-index

  2. The Journal of Physical Chemistry A

    6 publications · 877 citations

    6

    h-index

  3. Journal of Computational Chemistry

    5 publications · 195 citations

    5

    h-index

  4. Journal of Chemical Information and Modeling

    JCIM · 5 publications · 217 citations

    5

    h-index

  5. Journal of Chemical Theory and Computation

    JCTC · 4 publications · 1K citations

    4

    h-index

1–5