Determination of Local Spins by Means of a Spin-Free Treatment-Reference-Cited by-同舟云学术

Determination of Local Spins by Means of a Spin-Free Treatment

Published:2011-09-30 Issue:11 Volume:7 Page:3560-3566
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Alcoba Diego R.¹,Torre Alicia²,Lain Luis²,Bochicchio Roberto C.¹

Affiliation:

1. Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires and Instituto de Física de Buenos Aires, Consejo Nacional de Investigaciones Científicas y Técnicas, Ciudad Universitaria, 1428, Buenos Aires, Argentina

2. Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apdo. 644 E-48080 Bilbao, Spain

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct200594f

Reference42 articles.

1. Local spin

2. Local spin II

3. Local Spin III: Wave Function Analysis along a Reaction Coordinate, H Atom Abstraction, and Addition Processes of Benzyne

4. Comparative analysis of local spin definitions

5. On the definition of local spin in relativistic and nonrelativistic quantum chemistry

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