Visualizing Correlation Regions: The Case of the Ammonia Crystal-Reference-Cited by-同舟云学术

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Visualizing Correlation Regions: The Case of the Ammonia Crystal

Published:2021-09-13 Issue:2 Volume:2 Page:
ISSN:2628-9725
Container-title:Chemistry–Methods
language:en
Short-container-title:Chemistry Methods

Author:

Ramírez‐Palma David¹^ORCID,Landeros‐Rivera Bruno²,Genoni Alessandro³^ORCID,Cortés‐Guzmán Fernando¹^ORCID,Contreras‐García Julia²^ORCID

Affiliation:

1. Universidad Nacional Autónoma de México Instituto de Química Ciudad Universitaria Ciudad de México 04510

2. CNRS, Laboratoire de Chimie Théorique LCT Sorbonne Université Paris France

3. Université de Lorraine & CNRS Laboratoire de Physique et Chimie Théoriques (LPCT), UMR CNRS 7019 F-57078 Metz France

Publisher

Wiley

Subject

Materials Science (miscellaneous)

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/cmtd.202100045

Reference44 articles.

1. Silver-Catalysed Enantioselective Addition of OH and NH Bonds to Allenes: A New Model for Stereoselectivity Based on Noncovalent Interactions

2. Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications

3. Wavefunctions derived from experiment. I. Motivation and theory

4. A first-prototype multi-determinant X-ray constrained wavefunction approach: the X-ray constrained extremely localized molecular orbital–valence bond method

5. Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling

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1. Critical assessment of the x-ray restrained wave function approach: Advantages, drawbacks, and perspectives for density functional theory and periodic ab initio calculations;The Journal of Chemical Physics;2024-06-20

2. Wave functions consistent with experimental x-ray diffraction data: A hircocervus becomes reality;Chemical Physics Reviews;2024-06-01

3. The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentials;The Journal of Chemical Physics;2023-03-22

4. New venues in electron density analysis;Physical Chemistry Chemical Physics;2022

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