Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Ian J. Lochert"'
Publikováno v:
Propellants, Explosives, Pyrotechnics. 41:562-571
An understanding of the explosive’s shock sensitivity is of vital importance for the hazard assessment and vulnerability evaluations of munitions. This paper summarizes the experimental and modeling research relating to shock initiation and sympath
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::54739f23af485ee6552d03b1ff2b6ebb
https://doi.org/10.1002/prep.201500336
https://doi.org/10.1002/prep.201500336
Autor:
Angel L. Esteban, Ernesto Díez, Ernest W. Della, Cláudio F. Tormena, Ian J. Lochert, Rubén H. Contreras
Publikováno v:
Magnetic Resonance in Chemistry. 45:572-577
The main aim of this work is to compare the transmission mechanisms for the Fermi contact term of spin-spin couplings, SSCCs, in series 1-X-bicyclo[1.1.1]-pentane, (1), and 1-X-3-methylbicyclo[1.1.1]pentane, (2), and from that comparison to gain insi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::926e940a87eb65a233c7d9b46b9815b1
https://doi.org/10.1002/mrc.2009
https://doi.org/10.1002/mrc.2009
Autor:
Ernesto Díez, Angel L. Esteban, Ian J. Lochert, Rubén H. Contreras, Ernest W. Della, Cláudio F. Tormena, Francisco P. dos Santos
Publikováno v:
The Journal of Physical Chemistry A. 110:4266-4275
Hyperconjugative and electrostatic interactions effects on 1J(CH) spin-spin coupling constants (SSCCs) are critically studied from both theoretical and experimental points of view. A qualitative model is used to predict how the former affect such SSC
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::64d58843d6ab310342c381053eef9dc4
https://doi.org/10.1021/jp0555201
https://doi.org/10.1021/jp0555201
Publikováno v:
Magnetic Resonance in Chemistry. 38:395-402
The 13C NMR spectra of 24 members of a series of 1-X-bicyclo[1.1.1]pentanes were measured. SCSs on 13C1 were found to linearly correlated with those on 13C3, although the former correspond to deshielding effects and the latter to shielding effects. E
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a1de642127cc53e37659a536412ff335
https://doi.org/10.1002/1097-458x(200006)38:6<395::aid-mrc656>3.0.co
https://doi.org/10.1002/1097-458x(200006)38:6<395::aid-mrc656>3.0.co
Autor:
Ernest W. Delia, Ian J. Lochert
Publikováno v:
Organic Preparations and Procedures International. 28:411-441
(1996). SYNTHESIS OF BIUDGEHEAD-SUBSTTTUTED BICYCLO[1.1.1]PENTANES. A REVIEW. Organic Preparations and Procedures International: Vol. 28, No. 4, pp. 411-441.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::552061e01b03eb86ae2f8167edaab2ff
https://doi.org/10.1080/00304949609356550
https://doi.org/10.1080/00304949609356550
Publikováno v:
Magnetic resonance in chemistry : MRC.
(13)C chemical shifts were measured for 18 1-X,3-CH(3)-bicyclo[1.1.1]pentanes and the corresponding (13)C substituent chemical shifts (SCSs) were compared with those measured previously for the corresponding 1-X-bicyclo[1.1.1]pentanes. DFT-B3LYP calc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2c053f8001a000c22643aeaaef5f9c24
https://pubmed.ncbi.nlm.nih.gov/15366055
https://pubmed.ncbi.nlm.nih.gov/15366055
Autor:
Ernest W. Della, E. L. Botek, Rubén H. Contreras, S. B. Gómez, Ian J. Lochert, A. R. Krstic, M. C. Ruiz de Azúa, Claudia G. Giribet, William Adcock
Publikováno v:
Journal of Computational Chemistry. 19(2)
In the present work, the relationship between the large substituent effects on 3J(C1H) in 1-X-3-M-bicyclo[1.1.1]pentanes, I, and the polarizability of the bridgehead C3(SINGLE BOND)Mα bond is investigated. The existence of such a relationship is sug
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2c0e7feb1a5582d90afeed3f291519d2
https://doi.org/10.1002/(SICI)1096-987X(19980130)19:2<181::AID-JCC10>3.0.CO
https://doi.org/10.1002/(SICI)1096-987X(19980130)19:2<181::AID-JCC10>3.0.CO
Autor:
Claudia G. Giribet, Ian J. Lochert, Paolo Lazzeretti, Riccardo Zanasi, Martín C. Ruiz de Azúa, Ernest W. Delia, M. Malagoli, Rubén H. Contreras
The different dependences of NMR spin–spin coupling constants of a medium-sized molecule on the quality of the ground-state wavefunction is studied using three different basis sets of increasing size, namely, 6-31G, 6-31G* and 6-31G**. Calculations
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::15d0515c971e28367bff8aeadc4af529
http://hdl.handle.net/11386/3133113
http://hdl.handle.net/11386/3133113
Autor:
Rubén H. Contreras, Ángel L. Esteban, Ernesto Díez, Ernest W. Della, Ian J. Lochert, Francisco P. dos Santos, Cláudio F. Tormena
Publikováno v:
Journal of Physical Chemistry A; Mar2006, Vol. 110 Issue 12, p4266-4275, 10p