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Results for COUPLED CASPT2 CALCULATIONS
Publications & Outputs
f-Orbital covalency in the actinocenes (An = Th-Cm): multiconfigurational studies and topological analysis
Kerridge, A.
,
2014
,
In:
RSC Advances.
4
,
24
,
p. 12078-12086
9 p.
Research output
:
Contribution to Journal/Magazine
›
Journal article
›
peer-review
Oxidation state and covalency in f-element metallocenes (M = Ce, Th, Pu): a combined CASSCF and topological study
Kerridge, A.
,
14/12/2013
,
In:
Dalton Transactions.
42
,
46
,
p. 16428-16436
9 p.
Research output
:
Contribution to Journal/Magazine
›
Journal article
›
peer-review
A RASSCF study of free base, magnesium and zinc porphyrins: accuracy versus efficiency
Kerridge, A.
,
14/02/2013
,
In:
Physical Chemistry Chemical Physics.
15
,
6
,
p. 2197-2209
13 p.
Research output
:
Contribution to Journal/Magazine
›
Journal article
›
peer-review