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- 1.0557891 - ÚCHP 2023 RIV DE eng J - Journal Article
Tow, G.M. - Larentzos, J.P. - Sellers, M.S. - Lísal, Martin - Brennan, J.K.
Predicting Melt Curves of Energetic Materials Using Molecular Models.
Propellants Explosives Pyrotechnics. Roč. 47, č. 8 (2022), č. článku e202100363. ISSN 0721-3115. E-ISSN 1521-4087
Grant - others:ARL(US) W911NF-21- 2-0177; ARF(US) W911NF-20-2-0203; HPCMP(US) HIP-20-021
Institutional support: RVO:67985858
Keywords : HMX * melting point * molecular dynamics
OECD category: Physical chemistry
Impact factor: 1.8, year: 2022
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0331771File Download Size Commentary Version Access pep_e202100363_2022.pdf 0 1.1 MB Publisher’s postprint require - 2.0508669 - ÚCHP 2020 RIV US eng J - Journal Article
Lísal, Martin - Larentzos, J.P. - Sellers, M.S. - Schweigert, I.V. - Brennan, J.K.
Dissipative Particle Dynamics with Reactions: Application to RDX Decomposition.
Journal of Chemical Physics. Roč. 151, č. 11 (2019), č. článku 114112. ISSN 0021-9606. E-ISSN 1089-7690
Grant - others:ARL(US) W911NF-10-2-0039; ONR(US) N0001419WX00806; ONR(US) BAA No. 12-001
Institutional support: RVO:67985858
Keywords : dissipative particle dynamics * product gas mixture * cyclotrimethylene trinitramine
OECD category: Physical chemistry
Impact factor: 2.991, year: 2019
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0299814File Download Size Commentary Version Access 0508669.pdf 8 2.5 MB Author’s postprint require - 3.0461336 - ÚCHP 2017 RIV GB eng J - Journal Article
Sellers, M.S. - Lísal, Martin - Brennan, J.K.
Free-energy Calculations Using Classical Molecular Simulation: Application to the Determination of the Melting Point and Chemical Potential of a Flexible RDX Model.
Physical Chemistry Chemical Physics. Roč. 18, č. 11 (2016), s. 7841-7850. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA13-02938S
Grant - others:ARL(US) W911NF-10-2-0039
Institutional support: RVO:67985858
Keywords : solid-liquid coexistence * atomistic simulation * dynamics simulations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.123, year: 2016
Permanent Link: http://hdl.handle.net/11104/0260953File Download Size Commentary Version Access 17799.pdf 1 1.9 MB Publisher’s postprint open-access - 4.0461335 - ÚCHP 2017 RIV US eng J - Journal Article
Moore, J.D. - Barnes, B.C. - Izvekov, S. - Lísal, Martin - Sellers, M.S. - Taylor, D.E. - Brennan, J.K.
A Coarse-grain Force Field for RDX: Density Dependent and Eergy Conserving.
Journal of Chemical Physics. Roč. 144, č. 10 (2016), s. 104501. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GA13-02938S
Grant - others:ARL(US) W911NF-10-2-0039
Institutional support: RVO:67985858
Keywords : dissipative particle dynamics * cyclotrimethylele-trinitramine * biomolecular systems
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.965, year: 2016
Permanent Link: http://hdl.handle.net/11104/0260950File Download Size Commentary Version Access SKMBT_C22016072811370.pdf 2 7.3 MB Publisher’s postprint open-access - 5.0443532 - ÚCHP 2016 RIV GB eng J - Journal Article
Sellers, M.S. - Lísal, Martin - Brennan, J.K.
Exponential-Six Potential Scaling for the Calculation of Tree Energies in Molecular Simulations.
Molecular Physics. Roč. 113, č. 1 (2015), s. 45-54. ISSN 0026-8976. E-ISSN 1362-3028
R&D Projects: GA MŠMT LH12020
Grant - others:US ARL(US) W911NF-10-2-0039
Institutional support: RVO:67985858
Keywords : exponential-six potential * free energy * potential scaling
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.837, year: 2015
Permanent Link: http://hdl.handle.net/11104/0246230File Download Size Commentary Version Access 0443532.pdf 2 8 MB Author’s postprint open-access