Multiconfigurational Self-Consistent Field Calculations of the Magnetically Induced Current Density Using Gauge-Including Atomic Orbitals-Reference-Cited by-同舟云学术

Multiconfigurational Self-Consistent Field Calculations of the Magnetically Induced Current Density Using Gauge-Including Atomic Orbitals

Published:2013-04-05 Issue:5 Volume:9 Page:2189-2198
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Pathak Shubhrodeep¹,Bast Radovan²,Ruud Kenneth³

Affiliation:

1. Raman Center for Atomic, Molecular and Optical Sciences, Indian Association for the Cultivation of Science, Kolkata 700 032, India

2. Laboratoire de Chimie et Physique Quantiques (UMR 5626), CNRS/Université de Toulouse 3 (Paul Sabatier), 118 route de Narbonne, F−31062 Toulouse, France

3. Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromsø, N−9037 Tromsø, Norway

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct3011198

Reference90 articles.

1. Aromaticity: a Theoretical Concept of Immense Practical Importance

2. What is aromaticity?

3. Recherches sur la g�om�trie de quelques hydrocarbures non-alternants: son influence sur les �nergies de transition, une nouvelle d�finition de l'aromaticit�

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