Core Electron Energies, Infrared Intensities, and Atomic Charges-Reference-Cited by-同舟云学术

Core Electron Energies, Infrared Intensities, and Atomic Charges

Published:1997-05-01 Issue:18 Volume:119 Page:4224-4231
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Guadagnini Paulo H.¹,Oliveira Anselmo E.¹,Bruns Roy E.¹,de Barros Neto Benicio¹

Affiliation:

1. Contribution from the Instituto de Química, Universidade Estadual de Campinas, C.P. 6154, CEP 13083-970, Campinas, SP, Brazil, and Departamento de Química Fundamental, Universidade Federal de Pernambuco, 50739 Recife, PE, Brazil

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja961378t

Reference124 articles.

1. Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

2. Criteria for the Construction of Good Self‐Consistent‐Field Molecular Orbital Wave Functions, and the Significance of LCAO‐MO Population Analysis

3. The electronic properties of tetrahedral intermetallic compounds I. Charge distribution

4. Valence and molecular structure

Cited by 40 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. The First Hohenberg–Kohn Theorem Prevents Atomic Charges from Being Gathered from Vibrational Data;2024

2. Characteristic Substituent Effect Model for the Infrared Intensities of the X₂CY (X = H, F, Cl, Br; Y = O, S) Molecules;The Journal of Physical Chemistry A;2023-04-03

3. Unavoidable failure of point charge descriptions of electronic density changes for out-of-plane distortions;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2022-04

4. Are “GAPT Charges” Really Just Charges?;Journal of Chemical Information and Modeling;2021-07-29

5. Infrared Intensification and Hydrogen Bond Stabilization: Beyond Point Charges;The Journal of Physical Chemistry A;2019-07-05