A first step towards quantum energy potentials of electron pairs-Reference-Cited by-同舟云学术

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A first step towards quantum energy potentials of electron pairs

Published:2019 Issue:8 Volume:21 Page:4215-4223
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Munárriz Julen¹²³⁴⁵^ORCID,Laplaza Rubén¹²³⁴⁵^ORCID,Martín Pendás A.⁶⁷⁸⁴^ORCID,Contreras-García Julia⁵⁹¹⁰¹¹¹²^ORCID

Affiliation:

1. Departamento de Química Física and Instituto de Biocomputación y Física de Sistemas Complejos (BIFI)

2. Universidad de Zaragoza

3. Zaragoza

4. Spain

5. Sorbonne Université

6. Laboratorio de Química Física y Analítica

7. Universidad de Oviedo

8. Oviedo

9. CNRS

10. Laboratoire de Chimie Théorique

11. LCT

12. F. 75005 Paris

Abstract

A first step towards the construction of a quantum force field for electron pairs in direct space is taken.

Funder

Ministerio de Educación, Cultura y Deporte

Agence Nationale de la Recherche

Secretaría de Estado de Investigación, Desarrollo e Innovación

Universidad de Zaragoza

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP07509C

Reference49 articles.

1. Development of Force Field Parameters for Molecular Simulation of Polylactide

2. Inorganic stereochemistry

3. Transferable pseudoclassical electrons for aufbau of atomic ions

4. Exchange potentials for semi-classical electrons

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