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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
(2)
Project Details
Status
Active
Effective start/end date
15/11/19
→
14/11/23
Funding
Non-EU other:
£132,259.00
View all
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Fingerprint
Explore the research topics touched on by this project. These labels are generated based on the underlying awards/grants. Together they form a unique fingerprint.
Molecule
Chemistry
100%
Dissociation Energy
Chemistry
100%
Analytical Method
Chemistry
100%
Energetics
Chemistry
100%
Enthalpy of Formation
Chemistry
100%
Heat of Formation
Physics
100%
RDX
Physics
100%
Molecules
Physics
100%
Research output
Research output per year
2021
2021
2023
2023
2
Article
Research output per year
Research output per year
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%
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%