QTAIM charge–charge flux–dipole flux models for the fundamental infrared intensities of BF3 and BCl3-Reference-Cited by-同舟云学术

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QTAIM charge–charge flux–dipole flux models for the fundamental infrared intensities of BF3 and BCl3

Published:2013-12 Issue: Volume:116 Page:136-142
ISSN:1386-1425
Container-title:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
language:en
Short-container-title:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Author:

Richter Wagner E.,Silva Arnaldo F.,Pitoli Andrew C.L.,Vazquez Pedro A.M.,Bruns Roy E.

Publisher

Elsevier BV

Subject

Spectroscopy,Instrumentation,Atomic and Molecular Physics, and Optics,Analytical Chemistry

Reference33 articles.

1. How Accessible Is Atomic Charge Information from Infrared Intensities? A QTAIM/CCFDF Interpretation

2. An Atomic Charge−Charge Flux−Dipole Flux Atom-in-Molecule Decomposition for Molecular Dipole-Moment Derivatives and Infrared Fundamental Intensities

3. Atoms in Molecules: A Quantum Theory;Bader,1990

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

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1. IR intensities for out-of-plane vibrations at planar transition state structures: The NX3 series;Vibrational Spectroscopy;2024-03

2. Unravelling the diarsenic hydrides: Reactivity and spectroscopic properties;Journal of Molecular Structure;2021-11

3. Probing the robustness of the charge-charge transfer-dipolar polarization model and infrared intensities;Journal of Molecular Modeling;2018-06-29

4. QTAIM-Based Characteristic Group Infrared Intensities of Amino Acids and Their Transference to Peptides;The Journal of Physical Chemistry A;2016-10-13

5. Revisiting the integrated infrared intensities and atomic polar tensors of the boron trihalides;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2016-07

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