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Ab initio prediction of new energetic materials with low impact sensitivities
Morrison, Carole
(Principal Investigator)
School of Chemistry
Overview
Fingerprint
Research output
(3)
Research output
Research output per year
2021
2021
2023
2023
3
Article
Research output per year
Research output per year
3 results
Publication Year, Title
(descending)
Publication Year, Title
(ascending)
Title
Type
Search results
2023
High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1H-pyrazole
Atceken, N.
,
Hemingway, J.
,
Bull, C. L.
,
Liu, X.
,
Michalchuk, A. A. L.
,
Konar, S.
,
Morrison, C. A.
&
Pulham, C. R.
,
9 Nov 2023
, (E-pub ahead of print)
In:
Physical Chemistry Chemical Physics.
Research output
:
Contribution to journal
›
Article
›
peer-review
Open Access
File
Structural Studies
100%
Pressure
100%
Sensitization
100%
1H-Pyrazole
100%
Neutron Diffraction
22%
Is the impact sensitivity of RDX polymorph dependent?
Christopher, I. L.
,
Pulham, C.
,
Michalchuk, A. A. L.
&
Morrison, C. A.
,
28 Mar 2023
,
In:
The Journal of Chemical Physics.
158
,
12
, 124115.
Research output
:
Contribution to journal
›
Article
›
peer-review
Open Access
File
RDX
100%
Impact Resistance
100%
Shape
66%
Shock Wave
66%
Pressure
66%
2021
Towards Computational Screening for New Energetic Molecules: Calculation of Heat of Formation and Determination of Bond Strengths by Local Mode Analysis
Christopher, I. L.
,
Michalchuk, A. A. L.
,
Pulham, C. R.
&
Morrison, C. A.
,
20 Jul 2021
, (E-pub ahead of print)
In:
Frontiers in chemistry.
9
Research output
:
Contribution to journal
›
Article
›
peer-review
Open Access
File
Dissociation Energy
100%
Energetics
100%
Enthalpy of Formation
100%
Analytical Method
100%
Molecule
100%