Search Results - "Blanco, M. A"

Interacting Quantum Atoms:  A Correlated Energy Decomposition Scheme Based on the Quantum Theory of Atoms in Molecules by Blanco, M. A, Martín Pendás, A, Francisco, E

“…We make use of the Quantum Theory of Atoms in Molecules (QTAM) to partition the total energy of a many-electron system into intra- and interatomic terms, by…”
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A Molecular Energy Decomposition Scheme for Atoms in Molecules by Francisco, E, Martín Pendás, A, Blanco, M. A

“…An exact energy partition method based on a physically sound decomposition of the nondiagonal first-order and diagonal second-order density matrices put…”
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GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model by Blanco, M.A., Francisco, E., Luaña, V.

“…Given the energy of a solid ( E) as a function of the molecular volume ( V), the gibbs program uses a quasi-harmonic Debye model to generate the Debye…”
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Exergoeconomic and exergoenvironmental evaluation of the coupling of a gas fired steam power plant with a total site utility system by Khoshgoftar Manesh, M.H., Navid, P., Baghestani, M., Khamis Abadi, S., Rosen, M.A., Blanco, A.M., Amidpour, M.

“…•Integration of site utility and steam power plant.•Application of new targeting procedure for integrated plant.•Exergoeconomic and exergoenvironmental…”
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Bonding in Classical and Nonclassical Transition Metal Carbonyls: The Interacting Quantum Atoms Perspective by Tiana, Davide, Francisco, E, Blanco, M. A, Macchi, P, Sironi, Angelo, Martín Pendás, A

“…Chemical bonding in simple transition metal carbonyls is examined under the interacting quantum atoms approach (IQA), which provides an energetic viewpoint…”
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X‑ray Absorption Spectroscopy of Ground and Excited Rhenium–Carbonyl–Diimine Complexes: Evidence for a Two-Center Electron Transfer by El Nahhas, A, van der Veen, R. M, Penfold, T. J, Pham, V. T, Lima, F. A, Abela, R, Blanco-Rodriguez, A. M, Zális̆, S, Vlc̆ek, A, Tavernelli, I, Rothlisberger, U, Milne, C. J, Chergui, M

“…Steady-state and picosecond time-resolved X-ray absorption spectroscopy is used to study the ground and lowest triplet states of [ReX(CO)3(bpy)] n+, X = Etpy…”
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Periprandial changes and effects of short- and long-term fasting on ghrelin, GOAT, and ghrelin receptors in goldfish (Carassius auratus) by Blanco, A. M., Gómez-Boronat, M., Redondo, I., Valenciano, A. I., Delgado, M. J.

“…The periprandial profile and effects of short- (7 days) and long-term (30 days) fasting on the ghrelinergic system were studied in goldfish ( Carassius auratus…”
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Steric repulsions, rotation barriers, and stereoelectronic effects: A real space perspective by Pendás, A. Martín, Blanco, M.A, Francisco, E

“…Widely used chemical concepts like Pauli repulsion or hyperconjugation, and their role in determining rotation barriers or stereoelectronic effects, are…”
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Binding Energies of First Row Diatomics in the Light of the Interacting Quantum Atoms Approach by Pendás, A. Martín, Francisco, E, Blanco, M. A

“…Binding energies of first row diatomics are revisited within the interacting quantum atoms (IQA) approach. This is a formalism in chemical bonding theory based…”
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Distinct routes to metastasis: plasticity-dependent and plasticity-independent pathways by Somarelli, J A, Schaeffer, D, Marengo, M S, Bepler, T, Rouse, D, Ware, K E, Hish, A J, Zhao, Y, Buckley, A F, Epstein, J I, Armstrong, A J, Virshup, D M, Garcia-Blanco, M A

“…The cascade that culminates in macrometastases is thought to be mediated by phenotypic plasticity, including epithelial–mesenchymal and mesenchymal–epithelial…”
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Quantum-Mechanical Study of Thermodynamic and Bonding Properties of MgF2 by Francisco, E, Recio, J. M, Blanco, M. A, Pendás, A. Martín, Costales, A

“…The structural and thermodynamic properties of MgF2 have been investigated in a wide range of pressures (0−80 GPa) and temperatures (0−850 K) by coupling…”
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The Relationship of Anti‐MICA Antibodies and MICA Expression with Heart Allograft Rejection by Suárez‐Álvarez, B., López‐Vázquez, A., Gonzalez, M. Zapico, Fdez‐Morera, J. L., Díaz‐Molina, B., Blanco‐Gelaz, M. A., Pascual, D., Martínez‐Borra, J., Muro, M., Álvarez‐López, M. R., López‐Larrea, C.

“…The role of MICA antibodies in acute heart allograft rejection was examined utilizing 190 pre‐ and post‐transplant serum samples from 44 patients collected…”
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ASTHENOZOOSPERMIA: ANALYSIS OF A LARGE POPULATION by CURI, S. M., ARIAGNO, J. I., CHENLO, P. H., MENDELUK, G. R., PUGLIESE, M. N., SARDI SEGOVIA, L. M., REPETTO, H. E. H., BLANCO, A. M.

“…Spermatozoa travel a long distance to meet and fertilize the oocyte, so sperm motility is a requisite for normal fertilization. Asthenozoospermia, or low sperm…”
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Exergoenvironmental analysis of a steam methane reforming process for hydrogen production by Boyano, A., Blanco-Marigorta, A.M., Morosuk, T., Tsatsaronis, G.

“…Steam methane reforming (SMR) is one of the most promising processes for hydrogen production. Several studies have demonstrated its advantages from the…”
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Expectations of nursing degree students: A longitudinal analysis by Hidalgo-Blanco, M.A., Puig-Llobet, M., Lluch-Canut, M.T., Guàrdia-Olmos, J., Moreno-Arroyo, C., Amador-Campos, J.A.

“…The expectations of students regarding their studies have a strong influence on their academic performance and personal training, and they are closely related…”
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Modulating non-native aggregation and electrostatic protein–protein interactions with computationally designed single-point mutations by O'Brien, C.J., Blanco, M.A., Costanzo, J.A., Enterline, M., Fernandez, E.J., Robinson, A.S., Roberts, C.J.

“…Abstract Non-native protein aggregation is a ubiquitous challenge in the production, storage and administration of protein-based biotherapeutics. This study…”
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Distribution of Verticillium dahliae through watering systems in widely irrigated olive growing areas in Andalucia (southern Spain) by García-Cabello, S., Pérez-Rodríguez, M., Blanco-López, M. A., López-Escudero, F. J.

“…Verticillium dahliae Kleb. causes Verticillium wilts in many herbaceous and woody species. Many hosts of the pathogen are commonly cultivated in Andalucía…”
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Using Pseudopotentials within the Interacting Quantum Atoms Approach by Tiana, Davide, Francisco, E, Blanco, M. A, Pendás, A. Martín

“…A general strategy to extend the interacting quantum atoms (IQA) approach to pseudopotential or effective core potential electronic structure calculations is…”
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Pauling Resonant Structures in Real Space through Electron Number Probability Distributions by Pendás, A. Martín, Francisco, E, Blanco, M. A

“…A general hierarchy of the coarsed−grained electron probability distributions induced by exhaustive partitions of the physical space is presented. It is argued…”
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Two-electron integrations in the Quantum Theory of Atoms in Molecules with correlated wave functions by Pendás, A. Martín, Francisco, E., Blanco, M. A.

“…A recent method proposed to compute two‐electron integrals over arbitrary regions of space [Martín Pendás, A. et al., J Chem Phys 2004, 120, 4581] is extended…”
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