New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM

por Fadel, Firas, Zhao, Yuguang, Cachau, Raul, Cousido Siah, Alexandra, Ruiz, Francesc X., Harlos, Karl, Howard, Eduardo Ignacio, Mitschler, Andre, Podjarny, Alberto Daniel
Publicado 2015

Low temperature crystal structure of natural diosgenone

por Piro, Oscar Enrique, Castellano, Eduardo Ernesto, Tobón Zapata, Gloria E., Blair Trujillo, Silvia, Barán, Enrique José
Publicado 2002

A new copper(II) di-μ2-carboxylato bridged dinuclear complex: [Cu(oda)phen]2 · 6H2O (oda = oxydiacetate, phen = phenanthroline)

por Perec, Mireille, Slep, Leonardo Daniel
Publicado 2007

A new copper(II) di-μ2-carboxylato bridged dinuclear complex: [Cu(oda)phen]2 · 6H2O (oda = oxydiacetate, phen = phenanthroline)

por Baggio, R., Calvo, R., Garland, M.T., Peña, O., Perec, M., Slep, L.D.

Report on the sixth blind test of organic crystal structure prediction methods

por Facelli, Julio César, Ferraro, Marta Beatriz, Pagola, Gabriel Ignacio
Publicado 2016

Report on the sixth blind test of organic crystal structure prediction methods

por Reilly, A.M., Cooper, R.I., Adjiman, C.S., Bhattacharya, S., Boese, A.D., Brandenburg, J.G., Bygrave, P.J., Bylsma, R., Campbell, J.E., Car, R., Case, D.H., Chadha, R., Cole, J.C., Cosburn, K., Cuppen, H.M., Curtis, F., Day, G.M., DiStasio, R.A., Jr., Dzyabchenko, A., Van Eijck, B.P., Elking, D.M., Van Den Ende, J.A., Facelli, J.C., Ferraro, M.B., Fusti-Molnar, L., Gatsiou, C.-A., Gee, T.S., De Gelder, R., Ghiringhelli, L.M., Goto, H., Grimme, S., Guo, R., Hofmann, D.W.M., Hoja, J., Hylton, R.K., Iuzzolino, L., Jankiewicz, W., De Jong, D.T., Kendrick, J., De Klerk, N.J.J., Ko, H.-Y., Kuleshova, L.N., Li, X., Lohani, S., Leusen, F.J.J., Lund, A.M., Lv, J., Ma, Y., Marom, N., Masunov, A.E., McCabe, P., McMahon, D.P., Meekes, H., Metz, M.P., Misquitta, A.J., Mohamed, S., Monserrat, B., Needs, R.J., Neumann, M.A., Nyman, J., Obata, S., Oberhofer, H., Oganov, A.R., Orendt, A.M., Pagola, G.I., Pantelides, C.C., Pickard, C.J., Podeszwa, R., Price, L.S., Price, S.L., Pulido, A., Read, M.G., Reuter, K., Schneider, E., Schober, C., Shields, G.P., Singh, P., Sugden, I.J., Szalewicz, K., Taylor, C.R., Tkatchenko, A., Tuckerman, M.E., Vacarro, F., Vasileiadis, M., Vazquez-Mayagoitia, A., Vogt, L., Wang, Y., Watson, R.E., De Wijs, G.A., Yang, J., Zhu, Q., Groom, C.R.

Crystal and molecular structure determination, TGA, DTA, and infrared and Raman spectra of rubidium nitroprusside monohydrate, Rb₂[Fe(CN)₅NO] . H₂O

por Soria, Delia Beatriz, Piro, Oscar Enrique, Castellano, Eduardo Ernesto, Aymonino, Pedro José
Publicado 1999

Intermolecular interactions in crystalline 1-(adamantane-1-carbonyl)-3-substituted thioureas with Hirshfeld surface analysis

por Saeed, Aamer, Bolte, Michael, Erben, Mauricio Federico, Pérez, Hiram
Publicado 2015

Synthesis and Crystal Structure of Ammonium, Strontium Hexacyanoferrate(II) Dihydrate

por Medina Córdoba, L., Morán, Juana A., Santos, S., Piro, Oscar Enrique, Gómez, María Inés
Publicado 2011

The effect of chalcogen substitution on the structure and spectroscopy of 4,7-dimethyl-2<i>H</i>-chromen-2-one/thione analogues

por Delgado Espinosa, Zuly Yuliana, Saeed, Aamer, Mahmood, Shamsul, Echeverría, Gustavo Alberto, Piro, Oscar Enrique, Erben, Mauricio Federico
Publicado 2017

The enrichment ratio of atomic contacts in the crystal structure of isomeric, triply protonated, 4′-functionalized terpyridine cations with [ZnCl4]2- as counter-ion

Publicado 2018

Synthesis and characterization of ammonium acesulfamate

por Echeverría, Gustavo Alberto, Piro, Oscar Enrique, Parajón Costa, Beatriz S., Barán, Enrique José
Publicado 2014

The enrichment ratio of atomic contacts in the crystal structure of isomeric, triply protonated, 4′-functionalized terpyridine cations with [ZnCl4]2- as counter-ion

por Granifo, J., Suárez, S., Baggio, R.

Crystal structure and EPR spectrum of dimeric di-μ-azide-bis[cyanide(N,N-diethylethylenediamine)]-copper(II), [Cu(N₃)(NCO)(diEten)]₂

por Piro, Oscar Enrique, Castellano, Eduardo Ernesto, Zukerman Schpector, Julio, De Simone, C. A., Martino, D. M., Steren, C. A.
Publicado 1997

Crystal and anion structure, TGA, DTA, and infrared and Raman spectra of managanese(II) nitroprusside dihydrate, Mn [Fe(CN)5NO]·2H2O

por Benavente, A., de Morán, J, Piro, Oscar Enrique, Castellano, Eduardo Ernesto, Aymonino, Pedro José
Publicado 1997

Crystal and molecular structure determination, TGA-DTA, and infrared and Raman spectra of rubidium nitroprusside, Rb<SUB>2</SUB>[Fe(CN)<SUB>5</SUB>NO]

por Soria, Delia Beatriz, Amalvy, Javier Ignacio, Piro, Oscar Enrique, Castellano, Eduardo Ernesto, Aymonino, Pedro José
Publicado 1996

Solid-state 111Cd NMR studies on cadmium(II)-2,x-pyridinedicarboxylates. Crystal structure of 2,4-pyridinedicarboxylato triaqua cadmium(II) hemihydrate: [Cd(II)(2,4-pydc)(H2O)3] •...

Publicado 2005

Solid-state 111Cd NMR studies on cadmium(II)-2,x-pyridinedicarboxylates. Crystal structure of 2,4-pyridinedicarboxylato triaqua cadmium(II) hemihydrate: [Cd(II)(2,4-pydc)(H2O)3] •...

por Mendoza-Díaz, G., Rigotti, G., Piro, O.E., Sileo, E.E.

Molecular structure of trans-[Co(NH₃)₄(NH₂CH₃)Cl](ClO₄)₂

por Benzo, Fabián, Sienra, Beatriz, Piro, Oscar Enrique
Publicado 1998

Structural and IR-Spectroscopic Characterization of Aqua Lithium Acesulfamate, an Outlier of the M(ace), M: Na⁺, K⁺, Rb⁺, Cs⁺, Isomorphi...

por Piro, Oscar Enrique, Echeverría, Gustavo Alberto, Parajón Costa, Beatriz Susana, Baran, Enrique José
Publicado 2017