Zobrazeno 1 - 10
of 84
pro vyhledávání: '"J. D. Dunitz"'
Autor:
Angelo Gavezzotti, J. D. Dunitz
Publikováno v:
Crystal Growth & Design. 12:5873-5877
Building upon Desiraju’s concept of a supramolecular synthon, we have calculated cohesive energies and thermal stabilities of molecular systems related to the proposed synthons. The method employed is PIXEL, which allows reliable and extensive mapp
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8ce2616c53feb9cec140c6b7feda3d59
https://doi.org/10.1021/cg301293r
https://doi.org/10.1021/cg301293r
Polymorphic Perversity: Crystal Structures with Many Symmetry-Independent Molecules in the Unit Cell
Publikováno v:
Crystal Growth & Design. 8:2011-2018
An extensive analysis of polymorphic crystalline systems of organic compounds in which at least one member has a high number of molecules in the asymmetric unit ( Z′ > 2) has been carried out. Crystal structures are compared by traditional methods
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0a4248b11bb7844454f0305d0a1a1247
https://doi.org/10.1021/cg7011974
https://doi.org/10.1021/cg7011974
Autor:
and J. D. Dunitz, Angelo Gavezzotti
Publikováno v:
Crystal Growth & Design. 5:2180-2189
Elements of a theory of crystal packing are presented in the form of a systematic analysis of crystal packing molecular pairs, i.e., neighboring molecule−molecule pairs in the crystal, rather than in terms of selected intermolecular atom−atom con
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b4e268f017abf45cfb93c6ca2503f8c7
https://doi.org/10.1021/cg050098z
https://doi.org/10.1021/cg050098z
Autor:
J. D. Dunitz, Angelo Gavezzotti
Publikováno v:
The journal of physical chemistry. B. 116(23)
Crystal structures of chiral and racemic proteogenic amino acids are compared, over a database of 40 crystal structures and 20 chiral-racemic pairs. Wallach's rule does not apply. Solubility data show that the racemates tend to be slightly more stabl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6ac54b00017f95b4ca4e619d86d0f5ca
https://pubmed.ncbi.nlm.nih.gov/22360776
https://pubmed.ncbi.nlm.nih.gov/22360776
Autor:
J. D. Dunitz, H.‐B. Buergi
Publikováno v:
ChemInform. 26
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2f2a1186e3ee068938971bf7bf56b26e
https://doi.org/10.1002/chin.199531316
https://doi.org/10.1002/chin.199531316
Autor:
J. D. Dunitz, J. D. Fulton
Publikováno v:
Nature. 159(4057)
Following the observation by Fulton and Yorke1 that the drug Stilbamidine (4: 4´-diamidinostilbene di-β-hydroxyethanesulphonate) undergoes photochemical change with production of a more toxic substance when its solutions are exposed to light, vario
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b29a0e43f2cb828b226c88ff8847541d
https://pubmed.ncbi.nlm.nih.gov/20256179
https://pubmed.ncbi.nlm.nih.gov/20256179
Publikováno v:
Acta Crystallographica Section B Structural Science. 47:789-797
Earlier crystallographic refinements of naphthalene and anthracene against X-ray data recorded at five and six temperatures, respectively, have been repeated with atomic charge-deformation parameters transferred from a low-temperature study of peryle
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fac5f3c6bf8deca1516b37c629a70bf6
https://doi.org/10.1107/s0108768191003932
https://doi.org/10.1107/s0108768191003932
Autor:
J. D. Dunitz, J. A. R. P. Sarma
Publikováno v:
Acta Crystallographica Section B Structural Science. 46:784-794
C 9 H 13 NO 3 S cristallise a 193 K, dans la phase α, avec Pnc2, a=10,121, b=9,421, c=20,891 A, z=8; affinement jusqu'a R=0,029 ― A 298 K, coexistence des phases α et β, la phase β cristallise dans Pbma avec a=10,183, b=9,568, c=10,444 A, z=4;
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d284810c4fee0a93b1f463627faa085f
https://doi.org/10.1107/s0108768190007480
https://doi.org/10.1107/s0108768190007480
Autor:
J. A. R. P. Sarma, J. D. Dunitz
Publikováno v:
Acta Crystallographica Section B Structural Science. 46:780-784
C 9 H 13 NO 3 S cristallise dans P21/c avec a=8,855, b=10,426, c=11,082, β=91,13° a 193K, a=8,913, b=10,487, c=11,166A, β=90,95° a 255K, Z=4; affinement jusqu'a R=0,044. L'analyse des mouvements et les calculs d'energie potentielle d'empilement d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1a3d69a47b014a8f2b48d7db395fd794
https://doi.org/10.1107/s0108768190006723
https://doi.org/10.1107/s0108768190006723
Autor:
J. D. Dunitz
Publikováno v:
Acta Crystallographica Section B Structural Science. 49:145-146
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2501a13d58420ca53f46408f632a1726
https://doi.org/10.1107/s0108768192009522
https://doi.org/10.1107/s0108768192009522