CORE
🇺🇦
make metadata, not war
Services
Research
Services overview
Explore all CORE services
Access to raw data
API
Dataset
FastSync
Content discovery
Recommender
Discovery
OAI identifiers
OAI Resolver
Managing content
Dashboard
Bespoke contracts
Consultancy services
Support us
Support us
Membership
Sponsorship
Community governance
Advisory Board
Board of supporters
Research network
About
About us
Our mission
Team
Blog
FAQs
Contact us
Filters
7 research outputs found
Molecular design of all nitrogen pentazole‐based high energy density compounds with oxygen balance equal to zero
Author
Atkins P. W.
Hahre W. J.
Politzer P.
Publication venue
'Wiley'
Publication date
Field of study
No full text
Crossref
A Systematic Approach for Understanding Slater–Gaussian Functions in Computational Chemistry
Author
Becke D.
Boys S. F.
+11 more
Chan T. F.
Ditchfield R.
Hahre W. J.
Hahre W. J.
Hargrove J.
Hehre W. J.
Lee C.
Pardalous P. M.
Pye C. C.
Schlick T.
Stewart R. F.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
THEORETICAL STUDIES ON HEATS OF FORMATION OF PYRIDINE N-OXIDES USING DENSITY FUNCTIONAL THEORY AND COMPLETE BASIS METHOD
Author
Chen Z. X.
Foresman J. B.
+12 more
Ha T. K.
Hahre W. J.
Laing M.
Leroy G.
Miehlich B.
Ochiai E.
Pedley J. B.
RUI-ZHOU ZHANG
Shahawry A. S.
XIAN-ZHOU ZHANG
XIAO-HONG LI
ZHENG-XIN TANG
Publication venue
'World Scientific Pub Co Pte Lt'
Publication date
Field of study
No full text
Crossref
THEORETICAL CALCULATION OF BOND DISSOCIATION ENERGIES AND HEATS OF FORMATION FOR ALKYL NITRATE AND NITRITE COMPOUNDS WITH DENSITY FUNCTIONAL THEORY AND COMPLETE BASIS SET METHOD
Author
Batt L.
Gray P.
+15 more
Hahre W. J.
Kaur H.
Liebeman J. F.
Liebman J. F.
Nagasawa H.
RUI-ZHOU ZHANG
Ryan P.
Sadova N. I.
Sadova N. I.
Tavernier P.
Urbanski T.
William E. A.
XIANG-DONG YANG
XIAO-HONG LI
XIN-LU CHENG
Publication venue
'World Scientific Pub Co Pte Lt'
Publication date
Field of study
No full text
Crossref
Investigation on the mechanism and applications of the reaction Cl2+2HBr=2HCl+Br2
Author
A. Bannerjee
A. D. Becke
+24 more
B. C. Garrett
C. J. Cerjan
C. Lee
C. S. Yang
Heming Xiao
I. Last
J. Simons
Jijun Xiao
M. Baer
M. J. Cohen
M. J. Frisch
O. Yasushi
P. Goldfinger
P. Schubert
Tianjin Chemical Institute
W. J. Hahre
W. S. Bian
W. Y. Wen
Z. H. Liu
Z. Y. Wan
Z. Y. Wan
Z. Y. Wang
Zhaoxu Chen
Zunyao Wang
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Comparative Theoretical Studies of Energetic Substituted Carbon- and Nitrogen-Bridged Difurazans
Author
Averkiev B. B.
Beal R. W.
+55 more
Benson F. R.
Benson S. W.
Blanksby S. J.
Chavez D. E.
Chen Z. X.
Fried L. E.
Frisch M. J.
Gordon M. S.
Hahre W. J.
Harris N. J.
Hiskey M.
Hiskey M. A.
Huynh M. H. V.
Huynh M. H. V.
Jones C. B.
Joo Y. H.
Ju X. H.
Jursic B. S.
Kamlet M. J.
Kerth J.
Li Z. X.
Lide D. R.
Mills I.
Neutz J.
Owens F. J.
Pagoria P. F.
Pasinszki T.
Pivina T. S.
Rassolov V. A.
Royce W. B.
Royce W. B.
Schmidt M. W.
Scott A. P.
Selmi M.
Selmi M.
Sergievskii A. V.
Shaposhnikov S. D.
Sheremetev A. B.
Sheremetev A. B.
Sheremetev A. B.
Singh R. P.
Smiglak M.
Wang J.
Wang R.
Wei T.
Williams G. K.
Xiao H. M.
Xu X. J.
Yang S. Q.
Zelenin A. K.
Zelenin A. K.
Zelenin A. K.
Zhang C. Y.
Zhang X. G.
Zhang X. W.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Molecular Design of 1,2,4,5-Tetrazine-Based High-Energy Density Materials
Author
Benson F. R.
Benson S. W.
+54 more
Blanksby S. J.
Chavez D. E.
Chavez D. E.
Chavez D. E.
Chen P. C.
Chen Z. X.
Chen Z. X.
Churakov A. M.
Curtiss L. A.
Curtiss L. A.
David R. L.
Dean J. A.
Dewar M. J. S.
Dewar M. J. S.
Fried L. E.
Frisch M. J.
Hahre W. J.
Hehre W. J.
Hehre W. J.
Huynh M. H. V.
Huynh M. H. V.
Huynh M. H. V.
Huynh M. H. V.
Ju X. H.
Ju X. H.
Jursic B. S.
Kamlet M. J.
Kerth J.
Klapötke T. M.
Licht H. H.
Mills I.
Neutz J.
Nguyen M. T.
Owens F. J.
Parr R. G.
Qiu L.
Rice B. M.
Rice B. M.
Saracoglu N.
Scott A. P.
Seminario J. M.
Sing R. P.
Singh R. P.
Stewart J. J. P.
Stewart J. J. P.
Stine J. R.
Strout D. L.
Talawar M. B.
Talawar M. B.
Wang F.
Xiao H. M.
Xu X. J.
Zhang M. X.
Zhang M. X.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref