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3 research outputs found
Combustion of 1,5-Dinitrobiuret (DNB) in the Presence of Nitric Acid Using ReaxFF Molecular Dynamics Simulations
Author
Adri C. T. van Duin
Becke A. D.
+20 more
Chambreau S. D.
Chenoweth K.
Chenoweth K.
Chingin K.
Dmitry Bedrov
Geith J.
Geith J.
Goddard W. A.
Goddard W. A.
Klapöetke T. M.
Koh C. J.
Köhler J.
Lee C.
Liu J.
Michael F. Russo
Nielson K. D.
Schneider S.
Shashank Singhai
van Duin A. C. T.
Zhang L.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Assessing the Performances of Dispersion-Corrected Density Functional Methods for Predicting the Crystallographic Properties of High Nitrogen Energetic Salts
Author
Armiento R.
Balu R.
+86 more
Becke A. D.
Becke A. D.
Becke A. D.
Becke A. D.
Becke A. D.
Betsy M. Rice
Björkman T.
Björkman T.
Blöchl P. E.
Bonn O. d.
Brandenburg J.
Bucko T.
Bučko T.
Byrd E. F. C.
Byrd E. F. C.
Chai J.-D.
Crawford M.-J.
Dan C. Sorescu
Dion M.
Edward F. C. Byrd
Gao H.
Giannozzi P.
Goedecker S.
Grimme S.
Grimme S.
Grimme S.
Grimme S.
Guo Y.
Gálvez-Ruiz J. C.
Göbel M.
Habereder T.
Hammerl A.
Hammerl A.
Hammerl A.
Hammerl A.
Hammerl A.
Hirshfeld F. L.
Hohenberg P.
Johnson E. R.
Karaghiosoff K.
Karalti O.
Kearsley S. K.
Kenneth D. Jordan
Klapoetke T. M.
Klapoetke T. M.
Klapöetke T. M.
Klapöetke T. M.
Klapötke T. M.
Klimeš J.
Klimeš J.
Klimeš J.
Kohn W.
Kresse G.
Kresse G.
Kresse G.
Lee C. T.
Lee K.
Lippert G.
Marques M. A. L.
Monkhorst H. J.
Murray E. D.
Otero-de-la-Roza A.
Otero-de-la-Roza A.
Otero-de-la-Roza A.
Perdew J. P.
Perdew J. P.
Reckien W.
Risthaus T.
Román-Pérez G.
Sabatini R.
Sorescu D. C.
Tkatchenko A.
Tkatchenko A.
Tkatchenko A.
Tran F.
VandeVondele J.
VandeVondele J.
von Denffer M.
von Lilienfeld O. A.
Vydrov O. A.
Vydrov O. A.
Vydrov O. A.
Zhang Q.
Zhang Y.
Zhao Y.
Zhao Y.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Thermal kinetics and decomposition mechanism of 1-amino-1,2,3-triazolium nitrate
Author
A Jiménez
A K Sikder
+32 more
B N Achar
C Popescu
F Q Zhao
F Q Zhao
F Škvára
G Steinhauser
H E Kissinger
H Xue
J H Sharp
J J Zhang
L Xue
M Garcìa-Pèrez
M J Starink
P F Pagoria
Q H Lin
R P Singh
R P Singh
R Z Hu
Rongjie Yang
S Garg
S Y Qi
Siping Pang
T M Klapöetke
T M Klapötke
Xiaodong Li
Xujie Du
Y H Joo
Y X Pan
Y X Pan
Y Zhang
Yuchuan Li
Z Zeng
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref