Sample records for SOLVATACION (solvatation)
from WorldWideScience.org

Sample records 1 - 20 shown. Select sample records:



2

Polar di-halogen molecules solvated in bosonic helium clusters: The paradigm of ICl(X)

Lara Castells, M. Pilar de; Prosmiti, Rita; Delgado Barrio, Gerardo; López Durán, David; Villarreal, Pablo; Gianturco, Franco Antonio; Jellinek, J.
2006-11-28

Digital.CSIC (Spain)

3

Estudio teórico de la isomerización del ácido maleico en ácido fumárico: un enfoque basado en el concepto de superficie de energía potencial/ Theoretical study of the isomerization of maleic acid into fumaric acid: an approach based on the concept of potential energy surface

Ugarte, Ricardo; Salgado, Guillermo; Martinez, Rolando; Navarrete, José
2010-01-01

Resumen en inglés A comparative study based on potential energy surfaces (PES) of 2-butanedioic and hypothetic 2-butanedioic/HCl acids is useful for understanding the maleic acid isomerization. The PES enables locating conformers of minimum energy, intermediates of reactions and transition states. From contour diagrams, a set of possible reaction paths are depicted interconnecting the proposed structures. The study was carried out in absentia and in the presence of the catalyst (HCl), usin (mas) g an solvatation model provided by the Gaussian software package. Clearly, the effect of HCl is given by new reaction paths with lower energetic barriers in relation to the reaction without catalyzing.

Scientific Electronic Library Online (Spanish)

4

The structure of Rimonabant in the solid state and in solution : An experimental and theoretical study

Alcorta, Ibon; Alvarado, Mario; Elguero, José; Garcia-Granda, Santiago; Goya, Pilar; Jimeno, M. Luisa; Menendez-Taboada, Laura
2009-01-01

Digital.CSIC (Spain)

5

The hydration of Cu2+: Can the Jahn-Teller effect be detected in liquid solution?

Chaboy, J.; Muñoz-Páez, Adela; Merkling, Patrick J.; Sánchez Marcos, Enrique
2006-02-01

Digital.CSIC (Spain)

6

Synthesis and structure of chiral-at-metal complexes with the ligand (S)-2-[(Sp)-2-(diphenylphosphino)ferrocenyl]-4-isopropyloxazoline

Carmona, Daniel; Medrano, Roberto; Dobrinovich, Isabel T.; Lahoz, Fernando J.; Ferrer, Joaquina; Oro, Luis A.
2006-12-15

Digital.CSIC (Spain)

7

Spectral simulations of polar diatomic molecules immersed in He clusters: application to the ICl (X) molecule

Villarreal, Pablo; Lara Castells, M. Pilar de; Prosmiti, Rita; Delgado Barrio, Gerardo; López Durán, David; Gianturco, Franco Antonio; Jellinek, J.
2007-08-13

Digital.CSIC (Spain)

8
9

Raman spectra of (He)N-Br2(X) clusters: The role of boson/fermion statistics in a quantum solvent

López Durán, David; Lara Castells, M. Pilar de; Delgado Barrio, Gerardo; Villarreal, Pablo; Paola, C. Di.; Gianturco, Franco Antonio; Jellinek, J.
2004-08-15

Digital.CSIC (Spain)

10

Pyrazole derivatives of fatty acid amides as ppar-alpha receptor specific activators, preparation method thereof and use of same

Rodríguez de Fonseca, Fernando; Macías González, Manuel; Serrano Criado, Mª Antonia; Goya Laza, Mª Pilar; Hernán Alvarado, Mario; Elguero Bertolini, José; Jagerovic, Nadine
2009-04-23

Digital.CSIC (Spain)

12

Initial stages of water adsorption on NaCl (100) studied by scanning polarization force microscopy

Verdaguer, Albert; Sacha, G. M.; Luna, Mónica; Ogletree, Frank D.; Salmerón, Miquel
2005-09-23

Digital.CSIC (Spain)

14

High-Charge Smectite in Spanish "Raña" Soils

Aragoneses, F. J.; García González, María Teresa
1991-01-01

Digital.CSIC (Spain)

15

Hexanol-Induced Order-Disorder Transitions in Lamellar Self-Assembling Aggregates of Bacteriochlorophyll c in Chlorobium tepidum Chlorosomes

Arellano, Juan B.; Torkkeli, Mika; Tuma, Roman; Laurinmäki, Pasi A.; Melo, Thor Bernt; Ikonen, Teemu P.; Butcher, Sarah J.; Serimaa, Ritva E.; Psencik, Jakub
2008-03-01

Digital.CSIC (Spain)

16

Exploring the Use of Conformationally Locked Aminoglycosides as a New Strategy to Overcome Bacterial Resistance

Bastida, Ágatha; Hidalgo, Ana; Chiara, José Luis; Torrado, Mario; Corzana, Francisco; Pérez Cañadillas, José Manuel; Groves, Patrick; García-Junceda, Eduardo; González, Carlos; Jiménez-Barbero, Jesús; Asensio, Juan Luis
2006-01-01

Digital.CSIC (Spain)

17

Doped helium clusters analyzed through quantum chemistry methods

Lara Castells, M. Pilar de; Prosmiti, Rita; López Durán, David; Delgado Barrio, Gerardo; Villarreal, Pablo; Gianturco, Franco Antonio; Jellinek, J.
2007-06-18

Digital.CSIC (Spain)

18

Compound that can inhibit UBC13-UEV interactions, paharmaceutical compositions and therapeutic uses

Sanclimens Pérez de Rozas, Gloria; Thomson, Timothy M.; Scheper Sigmund, Johanna; Messeguer Peypoch, Ángel; Ramírez Ortiz, Miguel Ángel; González Ruiz, Domingo; Morreale de León, Antonio; Masip Masip, Isabel; Moure Fernández, Alejandra
2009-02-04

Digital.CSIC (Spain)

19

Chiral half-sandwich ruthenium(II) complexes as catalysts in 1,3-dipolar cycloaddition reactions of nitrones with methacrolein

Carmona, Daniel; Lamata, M. Pilar; Viguri, Fernando; Ferrer, Joaquina; García, Néstor; Lahoz, Fernando J.; Martín, M. Luisa; Oro, Luis A.
2006-07-19

Digital.CSIC (Spain)

20

Ca impurity in small mixed He-4-He-3 clusters

Guardiola, Rafael; Navarro, Jesús; Mateo, D.; Barranco, M.
2009-11-04

Digital.CSIC (Spain)