A fast approximate extension of the interacting quantum atoms energy decomposition to excited states-Reference-Cited by-同舟云学术

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A fast approximate extension of the interacting quantum atoms energy decomposition to excited states

Published:2022-04-26 Issue:16 Volume:43 Page:1068-1078
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Jara‐Cortés Jesús¹^ORCID,Matta Chérif F.²^ORCID,Hernández‐Trujillo Jesús³^ORCID

Affiliation:

1. Unidad Académica de Ciencias Básicas e Ingenierías Universidad Autónoma de Nayarit Tepic Mexico

2. Department of Chemistry and Physics Mount Saint Vincent University Halifax Nova Scotia Canada

3. Departamento de Física y Química Teórica, Facultad de Química, UNAM. Circuito Escolar Ciudad Universitaria Mexico City Mexico

Funder

Canada Foundation for Innovation

Consejo Nacional de Ciencia y Tecnología

Dirección General de Asuntos del Personal Académico, Universidad Nacional Autónoma de México

Mount Saint Vincent University

Natural Sciences and Engineering Research Council of Canada

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26863

Reference69 articles.

1. The spatial partitioning and transferability of molecular energies

2. Properties of atoms in molecules: Dipole moments and transferability of properties

3. Transferability of atomic properties and the theorem of Hohenberg and Kohn

4. Properties of atoms in molecules: additivity and transferability of group polarizabilities

5. Electron density modeling of large systems using the transferable atom equivalent method

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1. Intra and interatomic energy contributions in the photophysical relaxation of small aromatic molecules;ChemPhotoChem;2024-02-23

2. Hydroboration of imines: intermolecularvs.intramolecular hydride transfer;New Journal of Chemistry;2023

3. Seeking for Optimal Excited States in Photoinduced Electron-Transfer Processes─The Case Study of Brooker’s Merocyanine;The Journal of Physical Chemistry A;2022-12-19

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