scholarly journals In-depth investigation of large axial magnetic anisotropy in monometallic 3d complexes using frequency domain magnetic resonance and ab initio methods: a study of trigonal bipyramidal Co(ii)

2019 ◽  
Vol 10 (25) ◽  
pp. 6354-6361 ◽  
Author(s):  
Moya A. Hay ◽  
Arup Sarkar ◽  
Gavin A. Craig ◽  
Lakshmi Bhaskaran ◽  
Joscha Nehrkorn ◽  
...  
Keyword(s):  
Magnetic Resonance ◽  
Magnetic Anisotropy ◽  
Ab Initio ◽  
Frequency Domain ◽  
Easy Plane ◽  
Ab Initio Methods ◽  
Trigonal Bipyramidal

Symmetry control using DABCO generates a large easy-plane magnetic anisotropy with zero rhombic anisotropy.

scholarly journals Slow magnetic relaxation in a {CoIICoIII2} complex containing a high magnetic anisotropy trigonal bipyramidal CoII centre

2018 ◽  
Vol 47 (28) ◽  
pp. 9237-9240 ◽  
Author(s):  
Alexandra Collet ◽  
Gavin A. Craig ◽  
María José Heras Ojea ◽  
Lakshmi Bhaskaran ◽  
Claire Wilson ◽  
...  
Keyword(s):  
Magnetic Anisotropy ◽  
Magnetic Relaxation ◽  
Easy Plane ◽  
Trigonal Bipyramidal ◽  
Slow Magnetic Relaxation

Incorporation of a trigonal bipyramidal CoII centre in {CoIICoIII2} leads to a large, easy-plane magnetic anisotropy and slow magnetic relaxation.

scholarly journals Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure

2018 ◽  
Vol 9 (6) ◽  
pp. 1551-1559 ◽  
Author(s):  
Gavin A. Craig ◽  
Arup Sarkar ◽  
Christopher H. Woodall ◽  
Moya A. Hay ◽  
Katie E. R. Marriott ◽  
...  
Keyword(s):  
High Pressure ◽  
Magnetic Anisotropy ◽  
Ab Initio ◽  
Trigonal Bipyramidal ◽  
Synergistic Combination

The synergistic combination of high pressure techniques with ab initio methods creates a powerful tool to understand giant magnetic anisotropy.

Determination of acidic dissociation constants of L-phenylalanyl-glycine and L-alanyl-L-alanine in water using ab initio methods

2014 ◽  
Vol 2 (42) ◽  
pp. 263-263
Author(s):  
Farhoush Kiani ◽  
Mahmoud Tajbakhsh ◽  
Fereydoon Ashrafi ◽  
Nesa Shafiei ◽  
Azar Bahadori ◽  
...  
Keyword(s):  
Ab Initio ◽  
Dissociation Constants ◽  
Ab Initio Methods ◽  
Acidic Dissociation

Study of the structure and stability of aqua ions La(H2O) n 3+ (n = 8, 9) by ab initio methods

2008 ◽  
Vol 53 (8) ◽  
pp. 1249-1255 ◽  
Author(s):  
V. Yu. Buz’ko ◽  
I. V. Sukhno ◽  
M. B. Buz’ko ◽  
A. A. Polushin ◽  
V. T. Panyushkin
Keyword(s):  
Ab Initio ◽  
Ab Initio Methods ◽  
Structure And Stability
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