60f Paniagua, Juan Carlos [WorldCat Identities]
WorldCat Identities

Paniagua, Juan Carlos

Overview
Works: 21 works in 37 publications in 3 languages and 54 library holdings
Roles: Author
Classifications: QA76.73.F25,
Publication Timeline
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Most widely held works by Juan Carlos Paniagua
Introducció a la programació per a químics by Juan Carlos Paniagua Valle( Book )

9 editions published between 1994 and 1997 in Catalan and held by 11 WorldCat member libraries worldwide

Química quàntica by Juan Carlos Paniagua Valle( Book )

4 editions published between 1999 and 2011 in Catalan and held by 10 WorldCat member libraries worldwide

Introducció a la programació en FORTRAN 77 by Juan Carlos Paniagua( Book )

3 editions published in 2007 in Spanish and Catalan and held by 9 WorldCat member libraries worldwide

"Aquest llibre pretén aproximar el lector a la informàtica i introduir-lo en un llenguatge de programació d’àmbit cientificotècnic. El text està orientat a no professionals de la informàtica —estudiants, graduats i llicenciats en estudis científics o tècnics (física, química, biologia, geologia, enginyeries, etc.)— que vulguin tenir unes nocions de programació suficients per poder elaborar programes senzills o de dificultat mitjana. L’entorn de treball serà el que proporcionen les distribucions del sistema operatiu GNU/Linux, el qual pot estar instal·lat al disc dur o bé carregar-se des d’un CD autònom (live CD). El llenguatge escollit és el Fortran 77, que és senzill i clar, i està molt estès en el camp de les ciències fisicoquímiques. Els conceptes es presenten de manera esglaonada: d’entrada, s’introdueixen amb l’ajut d’exemples fàcils i, a mesura que s’avança en l’explicació, es tracten aplicacions més complexes. La major part dels exercicis proposats inclouen la solució o bé un conjunt de dades i resultats que permetin verificar el funcionament correcte del programa. L’objectiu és que el profà en la matèria pugui iniciar-se de seguida en la pràctica de la programació i que aconsegueixi un nivell que li permeti abordar sense dificultats la lectura de manuals més complets." -- Prové de l'editor
Introducció a la programació per a químics by Juan Carlos Paniagua( Book )

1 edition published in 1995 in Catalan and held by 6 WorldCat member libraries worldwide

La Aproximación topológica en el cálculo de orbitales moleculares localizados by Juan Carlos Paniagua( )

2 editions published between 1983 and 2008 in Spanish and held by 2 WorldCat member libraries worldwide

Quantum Confinement of Gaseous Molecules in Nanostructures: Effects on the Dynamics and Internal Structure by Manel Mondelo-Martell( Book )

2 editions published in 2018 in English and held by 2 WorldCat member libraries worldwide

Quantum confinement effects, understood as the changes on the structure and dynamics of a molecule when it goes from a free environment to a cavity with some characteristic length of the order of the nanometer, represent both a challenge and an opportunity. A challenge, because there is still work to be done in order to be able to understand and model them properly. An opportunity, because they offer the means to tune molecular properties such as adsorption, diffusion, or even reactivity. The present Doctoral Thesis is focused on the theoretical and computational study of the system consisting on a single H2 (or D2) molecule trapped in the hollow cavity of a narrow Single--walled Carbon Nanotube. Since Dillon and coworkers suggested in 1997 the existence of quantum confinement effects as an explanation for the unexpectedly high H2 uptake in carbon nanotubes, this particular system has received much attention from theoretical and experimental points of view. Here we intend to gain more insight on it by developing new analysis tools for high dimensional eigenstates, and by improving the model with respect to previous works. The former has been achieved through the use of overlap and partial overlap functions, which has provided with an intuitive way to understand the coupling between the different degrees of freedom by comparison of the actual eigenstates of the system with a separable model. Regarding the improvement of the model, we have worked on it from two perspectives: first, we have included new molecular degrees of freedom to the system, namely the motion of the center of mass of the molecule along the axis of the nanotube. This has allowed us to obtain diffusion rates for H2 and D2 inside the nanotube in a full quantum mechanics framework, which to the best of our knowledge had not been achieved before. The study of the diffusion dynamics has also allowed us to define an adiabatic representation of the Hamiltonian, taking advantage of the quasi separability of the diffusion coordinate and the remaining degrees of freedom, to increase the efficiency of the propagations with high accuracy. As a second means to improve the model, we have developed a system--bath coupling Hamiltonian in order to see how the phonons of the nanostructure affect the dynamics of the confined molecule. We have seen that both sets of degrees of freedom (molecular and phonons) are strongly coupled due to the linear momentum exchange between them. Time--dependent Perturbation Theory calculations have determined that the characteristic time for the momentum exchange is shorter than that for diffusion, which suggests that the friction with the nanotube may have a relevant effect on the transport properties of the confined molecule
Estudi teòric de reaccions d'interès en química atmosfèrica : mecanismes de reacció i eines per a la cerca d'estats de transició by Ramon Crehuet i Simon( )

1 edition published in 2000 in Catalan and held by 1 WorldCat member library worldwide

La aproximación topológica en la localización de orbitales moleculares by Juan Carlos Paniagua Valle( Book )

2 editions published in 1985 in Spanish and held by 1 WorldCat member library worldwide

¿Merece la filosofía un lugar en la educación? by Juan Carlos Paniagua( )

in Spanish and held by 1 WorldCat member library worldwide

Homenatge a Linus Pauling( )

1 edition published in 1996 in Catalan and held by 1 WorldCat member library worldwide

QQuantix 2.1( Book )

1 edition published in 2006 in Catalan and held by 1 WorldCat member library worldwide

Aquest CD conté un sistema operatiu GNU/Linux i el programari necessari per fer pràctiques de química quàntica: editor de text (Kate) ; paquet ofimàtic (Open Office) ; paquet de càlculs químicoquàntics (Molekel) ; calculadora científica (KCalc) ; navegador (Mozilla Firefox) així com programari d'aplicació, incloent-hi el compilador de Fortran g77
Química quàntica by Juan Carlos Paniagua Valle( Book )

in Catalan and held by 1 WorldCat member library worldwide

Introducció a la programació per a químics : Juan Carlos Paniagua amb la col.laboració de Antonio Aguilar ... [et al.] by Juan Carlos Paniagua Valle( Book )

1 edition published in 1997 in Catalan and held by 1 WorldCat member library worldwide

QUBuntu versió 2.1 : DVD autònom amb sistema operatiu GNU/Linux basat en Ubuntu 10.04( )

1 edition published in 2010 in Catalan and held by 1 WorldCat member library worldwide

La utilització d'aquest DVD no requereix cap tipus d'instal·lació
El escenario de la química cuántica by Juan Carlos Paniagua( )

1 edition published in 2008 in Spanish and held by 1 WorldCat member library worldwide

Catàleg de vídeos i pel·lícules de física i química( Book )

1 edition published in 1989 in Catalan and held by 1 WorldCat member library worldwide

Electrodeposició quasi-bidimensional sota flux convectiu forçat by Laura López i Tomàs( )

1 edition published in 1994 in Catalan and held by 1 WorldCat member library worldwide

QQuantix 2.3( )

1 edition published in 2007 in Catalan and held by 1 WorldCat member library worldwide

Aquest CD conté un sistema operatiu GNU/Linux i el programari necessari per fer pràctiques de química quàntica: editor de text (KWrite) ; paquet ofimàtic (Open Office) ; paquet de càlcul químico-quàntic (GAMESS) ; visualitzador de resultats de càlculs químico-quàntics (Molekel) ; calculadora científica (KCalc) ; navegadors (Iceweasel, Konqueror) així com programari d'aplicació, incloent-hi els compiladors de Fortran g77 i gfortran
Introducció a la programació per a químics by Juan Carlos Paniagua( Book )

1 edition published in 1994 in Spanish and held by 1 WorldCat member library worldwide

 
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Alternative Names
Juan Carlos Paniagua wetenschapper

Paniagua, Juan Carlos

Paniagua, Juan Carlos Paniagua Valle

Paniagua Valle, Juan Carlos

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