Sample records for COMPLEJOS DE HIDROGENO (hydrogen complexes)
from WorldWideScience.org

Sample records 1 - 20 shown. Select sample records:



1

ESTUDIO DEL EFECTO DE ISOTÓPO DE HIDRÓGENO EN LOS COMPLEJOS M-HH-F (M=Li, Na)/ INVESTIGATION OF THE HYDROGEN ISOTOPE EFFECT ON THE M-HH-F (M=Li, Na) COMPLEXES/ ESTUDO DO EFEITO DO ISÓTOPO DO HIDROGÊNIO NO COMPLEXOS M-HH-F (M=Li, Na)

Ortiz-Verano, Ismael; González, Sergio A; Reyes, Andrés
2009-04-01

Resumen en portugués Foi estudado teoricamente o efeito do isótopo de hidrogênio sobre geometria, distribuição do carga eletrônica, a estabilidade relativa da energia e da formação do complexos lineares do tipo M-X-Y-F e todos os seus isotopólogos do hidrogênio (M = Li, Na, X, Y = H, D, T). Estes estudos foram realizados com o pacote computacional APMO para um nível da teoria Hartree-Fock eletrônica e nuclear. Os resultados são do acordo com os resultados relatados por outros autores que utilizam métodos do estrutura eletrônica convencionais. Resumen en español Se estudió teóricamente el efecto de isotópo de hidrógeno sobre la geometría, la distribución de carga electrónica, la estabilidad relativa y la energía de formación de complejos lineales tipo M-X-Y-F y todos sus isotopólogos de hidrógeno (M=Li, Na; X, Y= H, D, T). Estos estudios fueron realizados con el paquete computacional APMO a un nivel de teoría Hartree-Fock electrónico y nuclear. Los resultados obtenidos son acordes con resultados reportados por otros autores que usan métodos de estructura electrónica convencional. Resumen en inglés We have carried out a theoretical investigacion of the hydrogen isotope effects on the geometry, the electronic charge distribution, the relative stability and the energy of formation of linear complexes of the type M-X-Y-F and all their hydrogen istopologues (M = Li, Na; X, Y= H, D, T). For this study we have utilized the APMO software at a nucleo-electronic Hartree-Fock level of theory. Our results are agreement with other reported theoretical data based on conventional electronic structure methods.

Scientific Electronic Library Online (Spanish)

2

Understanding the formation of N−H tautomers from α-substituted pyridines: tautomerization of 2-ethylpyridine promoted by osmium

Buil, María L.; Esteruelas, Miguel A.; Garcés, Karin; Oliván, Montserrat; Oñate, Enrique
2007-08-01

Digital.CSIC (Spain)

3

Three-dimensional crystal structure of the A-tract DNA dodecamer d(CGCAAATTTGCG) complexed with the minor-groove-binding drug Hoechst 33258

Vega, M. Cristina; García Sáez, Isabel; Aymamí, Joan; Eritja Casadellà, Ramón; Van Der Marel, Gijs A.; Van Boom, Jacques H.; Rich, Alexander; Coll, Miquel
1994-06-15

Digital.CSIC (Spain)

4

Theoretical Characterization of the Gas-Phase O3HO Hydrogen-Bonded Complex

Masergas, Alex; Anglada Rull, Josep M

6 pages, 2 tables, 3 figures. | We report a theoretical study on two gas-phase hydrogen-bonded complexes formed between ozone and hydroxyl radical that have relevance to atmospheric chemistry. This study was carried out by using CASSCF, CASPT2, QCISD, and CCSD(T) theoretical approaches in conjunctio...

DRIVER (Spanish)

6

The use of solvents for purifying industrial naphthalene from coal tar distilled oils

González Azpiroz, M.ª Dolores; Gutiérrez Blanco, Carlos; Casal Banciella, M.ª Dolores
2008-02-01

Digital.CSIC (Spain)

10

The escape of Lyman photons from a young starburst: the case of Haro 11

Hayes, Matthew; Ostlin, Göran; Atek, Hakim; Kunth, Daniel; Mas-Hesse, J. Miguel; Leitherer, Claus; Jiménez-Bailón, Elena; Adamo, Angela
2007-11-26

Digital.CSIC (Spain)

13

The CP43 Proximal Antenna Complex of Higher Plant Photosystem II Revisited: Modeling and Hole Burning Study. I

Dang, Nhan C.; Zazubovich, Valter; Reppert, Mike; Neupane, Bhanu; Picorel Castaño, Rafael; Seibert, Michael; Jankowiak, Ryszard
2008-08-01

Digital.CSIC (Spain)

14

The 1.49 angstrom resolution crystal structure of PsbQ from photosystem II of Spinacia oleracea reveals a PPII structure in the N-terminal region

Balsera, M.; Arellano, Juan B.; Revuelta, José L.; Rivas Sanz, Javier de las; Hermoso, Juan A.
2005-07-01

Digital.CSIC (Spain)

15

Synthesis and structural characterisation of new mono and dinuclear pyrazolatopalladium (II) complexes self-assembled through robust hydrogen-bonds

Ara, Irene; Falvello, Larry R.; Forniés, Juan; Lasheras, Roberto; Martín, Antonio; Oscar Oliva, Ocar; Sicilia, Violeta
2006-11-01

Digital.CSIC (Spain)

16

Structure of concanavalin A at pH 8: bound solvent and crystal contacts

López-Jaramillo, F. J.; González-Ramírez, L. A.; Albert, A.; Santoyo-González, F.; Vargas-Berenguel, A.; Otalora, Fermín
2004-06-01

Digital.CSIC (Spain)

17

Structural (and sequence-based) analysis of transcriptional regulation

Contreras-Moreira, Bruno; Lozada-Chávez, Irma; Espinosa Angarica, Vladimir
2008-01-01

Digital.CSIC (Spain)

18

Steroidal N-nitroamines. Part. 1. Denitroamination of Steroidal 4β-, 6β-, 7α-, and 7β-nitroamines

Francisco, Cosme G.; Melián, Daniel; Salazar, José A.; Suárez, Ernesto
1982-01-01

Digital.CSIC (Spain)

19

Steroidal N-Nitro-amines. Part 2.1 Detroanimation of Steroidal 12β-, 17β-, 20β-, and 23R-Nitro-Amines

Francisco, Cosme G.; Freire, Raimundo; Hernández, Rosendo; Melián, Daniel; Salazar, José A.; Suárez, Ernesto
1983-01-01

Digital.CSIC (Spain)

20

Spectroscopic and DFT Study of Tungstic Acid Peroxocomplexes

Barrio, Laura; Campos Martín, José Miguel; García Fierro, José Luis

6 pages, 5 figures.-- PMID: 17388297 [PubMed].-- Printed version published on Mar 22, 2007. | The catalytic system formed by tungstic acid and its complexes with H2O2 and phenylphosphonic acid has been analyzed from the experimental and theoretical points of view. Previous structural studies by XRD ...

DRIVER (Spanish)

21

Spectroscopic and DFT Study of Tungstic Acid Peroxocomplexes

Barrio, Laura; Campos Martín, Jose Miguel; García Fierro, José Luis
2007-02-28

Digital.CSIC (Spain)

23

Role of vibrational anharmonicity in atmospheric radical hydrogen-bonded complexes

Torrent-Sucarrat, Miquel; Anglada Rull, Josep; Luis, J. M.
2009-08-14

Digital.CSIC (Spain)

24

Rheological Behaviour of Coal Modified by Waste Plastics and Lubricating-Oils

Melendi Espina, Sonia; Díez Díaz-Estébanez, M.ª Antonia; Álvarez García, Ramón; Castro, Miguel; Steel, Karen; Snape, Colin E.
2007-01-01

Digital.CSIC (Spain)

27

Raman spectroscopy of the system iron(III)-sulfuric acid-water: an approach to Tinto River's (Spain) hydrogeochemistry

Sobrón, Pablo; Rull, Fernando; Sobrón, Francisco; Sanz Arranz, Aurelio; Medina, J.; Nielsen, C. J.
2007-08-01

Digital.CSIC (Spain)

28

PsTRXh1 and PsTRXh2 Are Both Pea h-Type Thioredoxins with Antagonistic Behavior in Redox Imbalances

Traverso, José A.; Vignols, Florence; Cazalis, Roland; Pulido, Amada; Sahrawy, Mariam; Cejudo, Francisco Javier; Meyer, Yves; Chueca, Ana
2007-01-01

Digital.CSIC (Spain)

29

Prussian Blue as Prebiotic Reagent

Ruiz Bermejo, Marta; Menor Salván, César; Veintemillas, Sabino
2007-07-01

Digital.CSIC (Spain)

30

Propeller-like hydrogen-bonded banana - melamine complexes inducing helical supramolecular organizations

Barberá, Joaquín; Puig, Laura; Romero, Pilar; Serrano, José Luis; Sierra, Teresa
2006-03-15

Digital.CSIC (Spain)

33

Polymetallic molecular complexes used as contrast agents in magnetic image resonance.

Molins Grau, Elíes; Roig Serra, Anna; Rodríguez Vargas, Elisenda
2003-11-13

Digital.CSIC (Spain)

34
35

Osmium and ruthenium complexes containing an N-Heterocyclic carbene ligand derived from benzo[h]quinoline.

Esteruelas, Miguel A.; Fernández-Alvarez, Francisco J.; Oñate, Enrique
2007-09-15

Digital.CSIC (Spain)

36

On the Gas Phase Hydrogen Bond Complexes between Formic Acid and Hydroperoxyl Radical. A Theoretical Study

Torrent-Sucarrat, M.; Anglada Rull, Josep M

9 pages, 5 tables, 4 figures. | We present a systematic study on the gas-phase hydrogen-bonded complexes formed between formic acid and hydroperoxyl radical, which has been carried out by using B3LYP and CCSD(T) theoretical approaches in connection with the 6-311+G(2df,2p) basis set. For all complex...

DRIVER (Spanish)

38

New selective haloform-type reaction yielding 3-hydroxy-2,2-difluoroacids: theoretical study of the mechanism

Olivella, Santiago; Solé, Albert; Jiménez, Óscar; Bosch, María Pilar; Guerrero, Ángel
2005-02-04

Digital.CSIC (Spain)

39

New Selective Haloform-type Reaction Yielding 3-Hydroxy-2,2-difluoroacids: Theoretical Study of the Mechanism

Olivella, Santiago; Solé, Albert; Jiménez, Óscar; Bosch, María Pilar; Guerrero, Ángel
2005-02-04

Digital.CSIC (Spain)

40

New Insight into the Gas-Phase Bimolecular Self-Reaction of the HOO Radical

Anglada Rull, Josep M.; Olivella, Santiago; Sol, Albert
2007-10-02

Digital.CSIC (Spain)

41

New 1H-pyrazole-containing polyamine receptors able to complex L-glutamate in water at physiological pH values

Miranda, Carlos; Escarti, Francisco; Lamarque, Laurent; Yunta, María J. R.; Navarro, Pilar; García-España, Enrique; Jimeno, M. Luisa
2003-01-01

Digital.CSIC (Spain)

42

Model linear metallocene-catalyzed polyolefins: Melt rheological behavior and molecular dynamics

Vega Borrego, Juan Francisco; Aguilar, M.; Martínez Salazar, Javier
2003-10-01

Digital.CSIC (Spain)

43

Mixed P−N and as−N bis-ylide palladium complexes: Cooperative intramolecular interactions, conformational preferences, and C−H bond activations

Serrano, Elena; Vallés, Cristina; Carbó, Jorge J.; Lledós, Agustí; Soler, Tatiana; Navarro, Rafael; Urriolabeitia, Esteban P.
2006-08-01

Digital.CSIC (Spain)

44

Mechanistic investigations of imine hydrogenation catalyzed by dinuclear iridium complexes

Martín, Marta; Sola, Eduardo; Tejero, Santiago; López, José A.; Oro, Luis A.
2006-03-01

Digital.CSIC (Spain)

47

Linear identification and model adjustment of a PEM fuel cell stack

Kunusch, Cristian; Husar, Attila Peter; Puleston, Pablo Federico; Mayosky, Miguel Ángel; Moré, J.J.
2008-01-01

Digital.CSIC (Spain)

48

Light-driven supramolecular chirality in propeller-like hydrogen-bonded complexes that show columnar

Vera, Francisco; Tejedor, Rosa M.; Romero, Pilar; Barberá, Joaquín; Ros, M. Blanca; Serrano, José Luis; Sierra, Teresa
2007-01-01

Digital.CSIC (Spain)

50

Influence of the Anion of the Salt Used on the Coordination Mode of an N-Heterocyclic Carbene Ligand to Osmium

Baya, Miguel; Eguillor, Beatriz; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique
2007-11-27

Digital.CSIC (Spain)

53

Human transthyretin in complex with iododiflunisal: structural features associated with a potent amyloid inhibitor

Gales, Luis; Macebo-Ribeiro, Sandra; Arsequell, Gemma; Valencia Parera, Gregorio; Saraiva, Maria João; Damas, Ana Margarida
2005-02-03

Digital.CSIC (Spain)

54

HST/ACS Lyman α imaging of the nearby starburst ESO 338-IG04

Hayes, M.; Östlin, G.; Mas-Hesse, J. Miguel; Kunth, D.; Leitherer, C.; Petrosian, A.
2005-01-01

Digital.CSIC (Spain)

55

H-1 Hyperfine Interactions in the Mn-Cluster of Photosystem II in the S-2 State Detected by Hyperfine Sublevel Correlation Spectroscopy

Martínez, J. I.; Yruela Guerrero, Inmaculada; Picorel Castaño, Rafael; Alonso, Pablo J.
2010-11-25

Digital.CSIC (Spain)

56

Group 11 complexes with the bis(3,5-dimethylpyrazol-1-yl)methane ligand. How secondary bonds can influence the coordination environment of Ag(I): the role of coordinated water in [Ag2(µ-L)2(OH2)2](OTf)2

Calhorda, Maria José; Costa, Paulo J.; Crespo, Olga; Gimeno, M. Concepción; Jones, Peter G.; Laguna, Antonio; Naranjo, Mar; Quintal, Susana; Yu-Jun, Shi; Villacampa, M. Dolores
2006-01-01

Digital.CSIC (Spain)

59

Experimental impact shock chemistry on planetary icy bodies

Nna Mvondo, Delphine; Khare, Bishun; Ishihara, Tomoko; McKay, Christopher P.
2007-11-06

Digital.CSIC (Spain)

60

Entropically-driven binding of mithramycin in the minor groove of C/G-rich DNA sequences

Barceló, Francisca; Scotta, Claudia; Ortiz-Lombardía, Miguel; Méndez, Carmen; Salas, José A.; Portugal, José
2007-03-16

Digital.CSIC (Spain)

62

Dynamic modeling and controllability analysis of an ethanol reformer for fuel cell application

García Mariel, Vanesa; López, Eduardo; Serra Prat, María; Llorca, Jordi; Riera Colomer, Jordi
2010-01-01

Digital.CSIC (Spain)

63

Displacement of phenyl and styryl ligands by benzophenone imine and 2-vinylpyridine on ruthenium and osmium

Buil, María L.; Esteruelas, Miguel A.; Goni, Eva; Oliván, Montserrat; Oñate, Enrique
2006-05-02

Digital.CSIC (Spain)

65

Dietary Fat Type Affects Vitamins C and E and Biomarkers of Oxidative Status in Peripheral and Brain Tissues of Golden Syrian Hamsters

Sánchez-Moreno, Concepción; Dorfman, Suzanne E.; Lichtenstein, Alice H.; Martín, Antonio
2004-03-01

Digital.CSIC (Spain)

66

Diastereospecific and diastereoselective syntheses of ruthenium(II) complexes using N,N‘ bidentate ligands aryl-pyridin-2-ylmethyl-amine ArNH-CH2-2-C5H4N and their oxidation to imine ligands

Gómez, Javier; García-Herbosa, Gabriel; Cuevas, José V.; Arnáiz, Ana; Carbayo, Arancha; Muñoz, Asunción; Falvello, Larry R.; Fanwick, Phillip E.
2006-02-01

Digital.CSIC (Spain)

67

Coordination and rupture of Methyl C(sp3)−H bonds in osmium−polyhydride complexes with δ agostic interaction

Baya, Miguel; Eguillor, Beatriz; Esteruelas, Miguel A.; Lledós, Agustí; Oliván, Montserrat; Oñate, Enrique
2007-09-01

Digital.CSIC (Spain)

69

Chemical production by Pulse-Laser Irradiation on Ices: Simulation of impact shock-induced chemistry

Nna Mvondo, Delphine; Khare, Bishun N.; Ishihara, Tomoko; McKay, Christopher P.
2007-07-01

Digital.CSIC (Spain)

70

Atom-by-atom analysis of global downhill protein folding

Sadqi, Mourad; Fushman, David; Muñoz van den Eynde, Víctor
2006-06-14

Digital.CSIC (Spain)

71

Ab initio potential-energy surface for the reaction Ca+HCl --> CaCl+H

Verbockhaven, Gilles; Sanz, Cristina; Groenenboom, Gerrit C.; Roncero, Octavio; Avoird, Ad van der
2005-05-23

Digital.CSIC (Spain)

72

A theoretical approach to the vibrational analysis of the nitroenamine system

Chiara, José Luis; Gómez-Sánchez, Antonio; Sánchez Marcos, Enrique
1990-01-01

Digital.CSIC (Spain)

73

A redetermination of (N9-adenine-[kappa]N)aqua[glycylglycinato(2-)-[kappa]3N,N',O]copper(II)

Brandi-Blanco, María Pilar; Dumet-Fernandes, B.; González-Pérez, J. M.; Choquesillo-Lazarte, Duane
2007-06-01

Digital.CSIC (Spain)

75

A detailed quantum mechanical and quasiclassical trajectory study on the dynamics of the H(+) + H2 --> H2 + H(+) exchange reaction

González Lezana, Tomás; Roncero, Octavio; Honvault, Pascal; Launay, Jean-Michel; Bulut, Niyazi; Aoiz, F. Javier; Bañares, Luis
2006-09-06

Digital.CSIC (Spain)