Ab initio finite perturbation theory calculations of nuclear magnetic-shielding tensors of Li+ and Na+ complexes

ChemInform Abstract: Ab initio Calculation and Analysis of Nuclear Magnetic Shielding Tensors: The LORG and SOLO Approaches

ChemInform ◽

10.1002/chin.199413329 ◽

2010 ◽

Vol 25 (13) ◽

pp. no-no

Author(s):

A. E. HANSEN ◽

T. D. BOUMAN

Keyword(s):

Ab Initio ◽

Ab Initio Calculation ◽

Magnetic Shielding ◽

Shielding Tensors ◽

Ab-Initio Calculation and Analysis of Nuclear Magnetic Shielding Tensors: the LORG and SOLO Approaches

Nuclear Magnetic Shieldings and Molecular Structure ◽

10.1007/978-94-011-1652-7_6 ◽

1993 ◽

pp. 117-140 ◽

Cited By ~ 5

Author(s):

Aage E. Hansen ◽

Thomas D. Bouman

Keyword(s):

Ab Initio ◽

Ab Initio Calculation ◽

Magnetic Shielding ◽

Shielding Tensors ◽

Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems - Advances in Quantum Chemistry ◽

Ab Initio Molecular Local Nuclear Magnetic Shielding Tensors

10.1016/bs.aiq.2017.03.001 ◽

2018 ◽

pp. 167-183

Author(s):

Nabil Joudieh ◽

Ali Bağcı ◽

Philip E. Hoggan

Keyword(s):

Ab Initio ◽

Magnetic Shielding ◽

Shielding Tensors ◽

Theoretical calculations of the nuclear magnetic shielding tensors for the ethylenic carbon atoms in cyclopropenes

Molecular Physics ◽

10.1080/00268979200102501 ◽

1992 ◽

Vol 77 (2) ◽

pp. 381-396 ◽

Cited By ~ 22

Author(s):

Colin M. Smith ◽

Roger D. Amos ◽

Nicholas C. Handy

Keyword(s):

Theoretical Calculations ◽

Magnetic Shielding ◽

Ethylenic Carbon ◽

Shielding Tensors ◽

Nuclear Magnetic Shielding Tensors in Phosphorus Containing Ring Systems. A Theoretical Study

Phosphorus Sulfur and Silicon and the Related Elements ◽

10.1080/10426509408021820 ◽

1994 ◽

Vol 93 (1-4) ◽

pp. 217-220 ◽

Cited By ~ 1

Author(s):

U. Fleischer ◽

K. Krüger ◽

G. Grossmann ◽

W. Kutzelnigg

Keyword(s):

Theoretical Study ◽

Magnetic Shielding ◽

Ring Systems ◽

Phosphorus Containing ◽

Shielding Tensors ◽

Current density maps, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. III. Thieno-thiophene isomers

Molecular Physics ◽

10.1080/00268970512331340574 ◽

2005 ◽

Vol 103 (6-8) ◽

pp. 789-801 ◽

Cited By ~ 9

Author(s):

I. García Cuesta ◽

R. Soriano Jartín ◽

A. Sánchez de Merás ◽

P. Lazzeretti *

Keyword(s):

Current Density ◽

Magnetic Shielding ◽

Density Maps ◽

Shielding Tensors ◽

Nitrogen-15 nuclear magnetic shielding tensors in nitrite and nitrate ion. Experimental and theoretical determinations

Chemical Physics Letters ◽

10.1016/0009-2614(94)00111-1 ◽

1994 ◽

Vol 219 (5-6) ◽

pp. 491-496 ◽

Cited By ~ 13

Author(s):

Patrick J. Barrie ◽

Christopher J. Groombridge ◽

Joan Mason ◽

Elaine A. Moore

Keyword(s):

Magnetic Shielding ◽

Nitrate Ion ◽

Shielding Tensors ◽

Structure, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. IV. Dihydrophospholophosphole isomers

Journal of Computational Chemistry ◽

10.1002/jcc.20349 ◽

2005 ◽

Vol 27 (3) ◽

pp. 344-351 ◽

Cited By ~ 7

Author(s):

Inmaculada García Cuesta ◽

Alfredo M. J. Sánchez De Merás ◽

Paolo Lazzeretti

Keyword(s):

Magnetic Shielding ◽

Shielding Tensors ◽

Current density maps, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. I. Di-hydro-pyrrolo–pyrrole isomers

The Journal of Chemical Physics ◽

10.1063/1.1599337 ◽

2003 ◽

Vol 119 (11) ◽

pp. 5518-5526 ◽

Cited By ~ 14

Author(s):

I. Garcı́a Cuesta ◽

R. Soriano Jartı́n ◽

A. Sánchez de Merás ◽

P. Lazzeretti

Keyword(s):

Current Density ◽

Magnetic Shielding ◽

Density Maps ◽

Shielding Tensors ◽

Comment on ‘Theoretical calculations of the nuclear magnetic shielding tensors for the ethylenic carbon atoms in cyclopropenes’

Molecular Physics ◽

10.1080/00268979400100931 ◽

1994 ◽

Vol 81 (6) ◽

pp. 1373-1382 ◽

Cited By ~ 3

Author(s):

Ch. van Wüllen ◽

U. Fleischer ◽

W. Kutzelnigg

Keyword(s):

Theoretical Calculations ◽

Magnetic Shielding ◽

Ethylenic Carbon ◽

Shielding Tensors ◽