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Range-separated approach to the RPA correlation applied to the van der Waals Bond and to diffusion of defects.

Physical review letters

Bruneval F.
PMID: 23004628
Phys Rev Lett. 2012 Jun 22;108(25):256403. doi: 10.1103/PhysRevLett.108.256403. Epub 2012 Jun 19.

The random-phase approximation (RPA) is a promising approximation to the exchange-correlation energy of density functional theory, since it contains the van der Waals (vdW) interaction and yields a potential with the correct band gap. However, its calculation is computationally...

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Bruneval F. Range-separated approach to the RPA correlation applied to the van der Waals Bond and to diffusion of defects. Phys Rev Lett. 2012;108(25):256403doi: 10.1103/PhysRevLett.108.256403.
Bruneval, F. (2012). Range-separated approach to the RPA correlation applied to the van der Waals Bond and to diffusion of defects. Physical review letters, 108(25), 256403. https://doi.org/10.1103/PhysRevLett.108.256403
Bruneval, Fabien. "Range-separated approach to the RPA correlation applied to the van der Waals Bond and to diffusion of defects." Physical review letters vol. 108,25 (2012): 256403. doi: https://doi.org/10.1103/PhysRevLett.108.256403
Bruneval F. Range-separated approach to the RPA correlation applied to the van der Waals Bond and to diffusion of defects. Phys Rev Lett. 2012 Jun 22;108(25):256403. doi: 10.1103/PhysRevLett.108.256403. Epub 2012 Jun 19. PMID: 23004628.
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An assessment of low-lying excitation energies and triplet instabilities of organic molecules with an ab initio Bethe-Salpeter equation approach and the Tamm-Dancoff approximation.

The Journal of chemical physics

Rangel T, Hamed SM, Bruneval F, Neaton JB.
PMID: 28527441
J Chem Phys. 2017 May 21;146(19):194108. doi: 10.1063/1.4983126.

The accurate prediction of singlet and triplet excitation energies is an area of intense research of significant fundamental interest and critical for many applications. Most calculations of singlet and triplet energies use time-dependent density functional theory (TDDFT) in conjunction...

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Rangel T, Hamed SM, Bruneval F, et al. An assessment of low-lying excitation energies and triplet instabilities of organic molecules with an ab initio Bethe-Salpeter equation approach and the Tamm-Dancoff approximation. J Chem Phys. 2017;146(19):194108doi: 10.1063/1.4983126.
Rangel, T., Hamed, S. M., Bruneval, F., & Neaton, J. B. (2017). An assessment of low-lying excitation energies and triplet instabilities of organic molecules with an ab initio Bethe-Salpeter equation approach and the Tamm-Dancoff approximation. The Journal of chemical physics, 146(19), 194108. https://doi.org/10.1063/1.4983126
Rangel, Tonatiuh, et al. "An assessment of low-lying excitation energies and triplet instabilities of organic molecules with an ab initio Bethe-Salpeter equation approach and the Tamm-Dancoff approximation." The Journal of chemical physics vol. 146,19 (2017): 194108. doi: https://doi.org/10.1063/1.4983126
Rangel T, Hamed SM, Bruneval F, Neaton JB. An assessment of low-lying excitation energies and triplet instabilities of organic molecules with an ab initio Bethe-Salpeter equation approach and the Tamm-Dancoff approximation. J Chem Phys. 2017 May 21;146(19):194108. doi: 10.1063/1.4983126. PMID: 28527441; PMCID: PMC5648560.
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Targeted .

Journal of cardiovascular development and disease

Judge DP, Neamatalla H, Norris RA, Levine RA, Butcher JT, Vignier N, Kang KH, Nguyen Q, Bruneval P, Perier MC, Messas E, Jeunemaitre X, de Vlaming A, Markwald R, Carrier L, Hagège AA.
PMID: 26819945
J Cardiovasc Dev Dis. 2015;2(2):48-65. doi: 10.3390/jcdd2020048. Epub 2015 Apr 21.

No abstract available.

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Judge DP, Neamatalla H, Norris RA, et al. Targeted . J Cardiovasc Dev Dis. 2015;2(2):48-65doi: 10.3390/jcdd2020048.
Judge, D. P., Neamatalla, H., Norris, R. A., Levine, R. A., Butcher, J. T., Vignier, N., Kang, K. H., Nguyen, Q., Bruneval, P., Perier, M. C., Messas, E., Jeunemaitre, X., de Vlaming, A., Markwald, R., Carrier, L., & Hagège, A. A. (2015). Targeted . Journal of cardiovascular development and disease, 2(2), 48-65. https://doi.org/10.3390/jcdd2020048
Judge, Daniel P, et al. "Targeted ." Journal of cardiovascular development and disease vol. 2,2 (2015): 48-65. doi: https://doi.org/10.3390/jcdd2020048
Judge DP, Neamatalla H, Norris RA, Levine RA, Butcher JT, Vignier N, Kang KH, Nguyen Q, Bruneval P, Perier MC, Messas E, Jeunemaitre X, de Vlaming A, Markwald R, Carrier L, Hagège AA. Targeted . J Cardiovasc Dev Dis. 2015;2(2):48-65. doi: 10.3390/jcdd2020048. Epub 2015 Apr 21. PMID: 26819945; PMCID: PMC4725593.
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A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules.

The Journal of chemical physics

Bruneval F, Hamed SM, Neaton JB.
PMID: 26133404
J Chem Phys. 2015 Jun 28;142(24):244101. doi: 10.1063/1.4922489.

The predictive power of the ab initio Bethe-Salpeter equation (BSE) approach, rigorously based on many-body Green's function theory but incorporating information from density functional theory, has already been demonstrated for the optical gaps and spectra of solid-state systems. Interest...

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Bruneval F, Hamed SM, Neaton JB. A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules. J Chem Phys. 2015;142(24):244101doi: 10.1063/1.4922489.
Bruneval, F., Hamed, S. M., & Neaton, J. B. (2015). A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules. The Journal of chemical physics, 142(24), 244101. https://doi.org/10.1063/1.4922489
Bruneval, Fabien, et al. "A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules." The Journal of chemical physics vol. 142,24 (2015): 244101. doi: https://doi.org/10.1063/1.4922489
Bruneval F, Hamed SM, Neaton JB. A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules. J Chem Phys. 2015 Jun 28;142(24):244101. doi: 10.1063/1.4922489. PMID: 26133404.
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Search for predictive generic model of aqueous solubility using Bayesian neural nets.

Journal of chemical information and computer sciences

Bruneau P.
PMID: 11749587
J Chem Inf Comput Sci. 2001 Nov-Dec;41(6):1605-16. doi: 10.1021/ci010363y.

Several predictive models of aqueous solubility have been published. They have good performances on the data sets which have been used for training the models, but usually these data sets do not contain many structures similar to the structures...

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Bruneau P. Search for predictive generic model of aqueous solubility using Bayesian neural nets. J Chem Inf Comput Sci. 2001;41(6):1605-16doi: 10.1021/ci010363y.
Bruneau, P. (2001). Search for predictive generic model of aqueous solubility using Bayesian neural nets. Journal of chemical information and computer sciences, 41(6), 1605-16. https://doi.org/10.1021/ci010363y
Bruneau, P. "Search for predictive generic model of aqueous solubility using Bayesian neural nets." Journal of chemical information and computer sciences vol. 41,6 (2001): 1605-16. doi: https://doi.org/10.1021/ci010363y
Bruneau P. Search for predictive generic model of aqueous solubility using Bayesian neural nets. J Chem Inf Comput Sci. 2001 Nov-Dec;41(6):1605-16. doi: 10.1021/ci010363y. PMID: 11749587.
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Quasiparticle self-consistent GW method for the spectral properties of complex materials.

Topics in current chemistry

Bruneval F, Gatti M.
PMID: 24563009
Top Curr Chem. 2014;347:99-135. doi: 10.1007/128_2013_460.

The GW approximation to the formally exact many-body perturbation theory has been applied successfully to materials for several decades. Since the practical calculations are extremely cumbersome, the GW self-energy is most commonly evaluated using a first-order perturbative approach: This...

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Bruneval F, Gatti M. Quasiparticle self-consistent GW method for the spectral properties of complex materials. Top Curr Chem. 2014;347:99-135doi: 10.1007/128_2013_460.
Bruneval, F., & Gatti, M. (2014). Quasiparticle self-consistent GW method for the spectral properties of complex materials. Topics in current chemistry, 34799-135. https://doi.org/10.1007/128_2013_460
Bruneval, Fabien, and Gatti, Matteo. "Quasiparticle self-consistent GW method for the spectral properties of complex materials." Topics in current chemistry vol. 347 (2014): 99-135. doi: https://doi.org/10.1007/128_2013_460
Bruneval F, Gatti M. Quasiparticle self-consistent GW method for the spectral properties of complex materials. Top Curr Chem. 2014;347:99-135. doi: 10.1007/128_2013_460. PMID: 24563009.
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SEIS: Insight's Seismic Experiment for Internal Structure of Mars.

Space science reviews

Lognonné P, Banerdt WB, Giardini D, Pike WT, Christensen U, Laudet P, de Raucourt S, Zweifel P, Calcutt S, Bierwirth M, Hurst KJ, Ijpelaan F, Umland JW, Llorca-Cejudo R, Larson SA, Garcia RF, Kedar S, Knapmeyer-Endrun B, Mimoun D, Mocquet A, Panning MP, Weber RC, Sylvestre-Baron A, Pont G, Verdier N, Kerjean L, Facto LJ, Gharakanian V, Feldman JE, Hoffman TL, Klein DB, Klein K, Onufer NP, Paredes-Garcia J, Petkov MP, Willis JR, Smrekar SE, Drilleau M, Gabsi T, Nebut T, Robert O, Tillier S, Moreau C, Parise M, Aveni G, Ben Charef S, Bennour Y, Camus T, Dandonneau PA, Desfoux C, Lecomte B, Pot O, Revuz P, Mance D, tenPierick J, Bowles NE, Charalambous C, Delahunty AK, Hurley J, Irshad R, Liu H, Mukherjee AG, Standley IM, Stott AE, Temple J, Warren T, Eberhardt M, Kramer A, Kühne W, Miettinen EP, Monecke M, Aicardi C, André M, Baroukh J, Borrien A, Bouisset A, Boutte P, Brethomé K, Brysbaert C, Carlier T, Deleuze M, Desmarres JM, Dilhan D, Doucet C, Faye D, Faye-Refalo N, Gonzalez R, Imbert C, Larigauderie C, Locatelli E, Luno L, Meyer JR, Mialhe F, Mouret JM, Nonon M, Pahn Y, Paillet A, Pasquier P, Perez G, Perez R, Perrin L, Pouilloux B, Rosak A, Savin de Larclause I, Sicre J, Sodki M, Toulemont N, Vella B, Yana C, Alibay F, Avalos OM, Balzer MA, Bhandari P, Blanco E, Bone BD, Bousman JC, Bruneau P, Calef FJ, Calvet RJ, D'Agostino SA, de Los Santos G, Deen RG, Denise RW, Ervin J, Ferraro NW, Gengl HE, Grinblat F, Hernandez D, Hetzel M, Johnson ME, Khachikyan L, Lin JY, Madzunkov SM, Marshall SL, Mikellides IG, Miller EA, Raff W, Singer JE, Sunday CM, Villalvazo JF, Wallace MC, Banfield D, Rodriguez-Manfredi JA, Russell CT, Trebi-Ollennu A, Maki JN, Beucler E, Böse M, Bonjour C, Berenguer JL, Ceylan S, Clinton J, Conejero V, Daubar I, Dehant V, Delage P, Euchner F, Estève I, Fayon L, Ferraioli L, Johnson CL, Gagnepain-Beyneix J, Golombek M, Khan A, Kawamura T, Kenda B, Labrot P, Murdoch N, Pardo C, Perrin C, Pou L, Sauron A, Savoie D, Stähler S, Stutzmann E, Teanby NA, Tromp J, van Driel M, Wieczorek M, Widmer-Schnidrig R, Wookey J.
PMID: 30880848
Space Sci Rev. 2019;215(1):12. doi: 10.1007/s11214-018-0574-6. Epub 2019 Jan 28.

By the end of 2018, 42 years after the landing of the two Viking seismometers on Mars, InSight will deploy onto Mars' surface the SEIS (ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (10.1007/s11214-018-0574-6) contains supplementary material, which...

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Lognonné P, Banerdt WB, Giardini D, et al. SEIS: Insight's Seismic Experiment for Internal Structure of Mars. Space Sci Rev. 2019;215(1):12doi: 10.1007/s11214-018-0574-6.
Lognonné, P., Banerdt, W. B., Giardini, D., Pike, W. T., Christensen, U., Laudet, P., de Raucourt, S., Zweifel, P., Calcutt, S., Bierwirth, M., Hurst, K. J., Ijpelaan, F., Umland, J. W., Llorca-Cejudo, R., Larson, S. A., Garcia, R. F., Kedar, S., Knapmeyer-Endrun, B., Mimoun, D., Mocquet, A., Panning, M. P., Weber, R. C., Sylvestre-Baron, A., Pont, G., Verdier, N., Kerjean, L., Facto, L. J., Gharakanian, V., Feldman, J. E., Hoffman, T. L., Klein, D. B., Klein, K., Onufer, N. P., Paredes-Garcia, J., Petkov, M. P., Willis, J. R., Smrekar, S. E., Drilleau, M., Gabsi, T., Nebut, T., Robert, O., Tillier, S., Moreau, C., Parise, M., Aveni, G., Ben Charef, S., Bennour, Y., Camus, T., Dandonneau, P. A., Desfoux, C., Lecomte, B., Pot, O., Revuz, P., Mance, D., tenPierick, J., Bowles, N. E., Charalambous, C., Delahunty, A. K., Hurley, J., Irshad, R., Liu, H., Mukherjee, A. G., Standley, I. M., Stott, A. E., Temple, J., Warren, T., Eberhardt, M., Kramer, A., Kühne, W., Miettinen, E. P., Monecke, M., Aicardi, C., André, M., Baroukh, J., Borrien, A., Bouisset, A., Boutte, P., Brethomé, K., Brysbaert, C., Carlier, T., Deleuze, M., Desmarres, J. M., Dilhan, D., Doucet, C., Faye, D., Faye-Refalo, N., Gonzalez, R., Imbert, C., Larigauderie, C., Locatelli, E., Luno, L., Meyer, J. R., Mialhe, F., Mouret, J. M., Nonon, M., Pahn, Y., Paillet, A., Pasquier, P., Perez, G., Perez, R., Perrin, L., Pouilloux, B., Rosak, A., Savin de Larclause, I., Sicre, J., Sodki, M., Toulemont, N., Vella, B., Yana, C., Alibay, F., Avalos, O. M., Balzer, M. A., Bhandari, P., Blanco, E., Bone, B. D., Bousman, J. C., Bruneau, P., Calef, F. J., Calvet, R. J., D'Agostino, S. A., de Los Santos, G., Deen, R. G., Denise, R. W., Ervin, J., Ferraro, N. W., Gengl, H. E., Grinblat, F., Hernandez, D., Hetzel, M., Johnson, M. E., Khachikyan, L., Lin, J. Y., Madzunkov, S. M., Marshall, S. L., Mikellides, I. G., Miller, E. A., Raff, W., Singer, J. E., Sunday, C. M., Villalvazo, J. F., Wallace, M. C., Banfield, D., Rodriguez-Manfredi, J. A., Russell, C. T., Trebi-Ollennu, A., Maki, J. N., Beucler, E., Böse, M., Bonjour, C., Berenguer, J. L., Ceylan, S., Clinton, J., Conejero, V., Daubar, I., Dehant, V., Delage, P., Euchner, F., Estève, I., Fayon, L., Ferraioli, L., Johnson, C. L., Gagnepain-Beyneix, J., Golombek, M., Khan, A., Kawamura, T., Kenda, B., Labrot, P., Murdoch, N., Pardo, C., Perrin, C., Pou, L., Sauron, A., Savoie, D., Stähler, S., Stutzmann, E., Teanby, N. A., Tromp, J., van Driel, M., Wieczorek, M., Widmer-Schnidrig, R., & Wookey, J. (2019). SEIS: Insight's Seismic Experiment for Internal Structure of Mars. Space science reviews, 215(1), 12. https://doi.org/10.1007/s11214-018-0574-6
Lognonné, P, et al. "SEIS: Insight's Seismic Experiment for Internal Structure of Mars." Space science reviews vol. 215,1 (2019): 12. doi: https://doi.org/10.1007/s11214-018-0574-6
Lognonné P, Banerdt WB, Giardini D, Pike WT, Christensen U, Laudet P, de Raucourt S, Zweifel P, Calcutt S, Bierwirth M, Hurst KJ, Ijpelaan F, Umland JW, Llorca-Cejudo R, Larson SA, Garcia RF, Kedar S, Knapmeyer-Endrun B, Mimoun D, Mocquet A, Panning MP, Weber RC, Sylvestre-Baron A, Pont G, Verdier N, Kerjean L, Facto LJ, Gharakanian V, Feldman JE, Hoffman TL, Klein DB, Klein K, Onufer NP, Paredes-Garcia J, Petkov MP, Willis JR, Smrekar SE, Drilleau M, Gabsi T, Nebut T, Robert O, Tillier S, Moreau C, Parise M, Aveni G, Ben Charef S, Bennour Y, Camus T, Dandonneau PA, Desfoux C, Lecomte B, Pot O, Revuz P, Mance D, tenPierick J, Bowles NE, Charalambous C, Delahunty AK, Hurley J, Irshad R, Liu H, Mukherjee AG, Standley IM, Stott AE, Temple J, Warren T, Eberhardt M, Kramer A, Kühne W, Miettinen EP, Monecke M, Aicardi C, André M, Baroukh J, Borrien A, Bouisset A, Boutte P, Brethomé K, Brysbaert C, Carlier T, Deleuze M, Desmarres JM, Dilhan D, Doucet C, Faye D, Faye-Refalo N, Gonzalez R, Imbert C, Larigauderie C, Locatelli E, Luno L, Meyer JR, Mialhe F, Mouret JM, Nonon M, Pahn Y, Paillet A, Pasquier P, Perez G, Perez R, Perrin L, Pouilloux B, Rosak A, Savin de Larclause I, Sicre J, Sodki M, Toulemont N, Vella B, Yana C, Alibay F, Avalos OM, Balzer MA, Bhandari P, Blanco E, Bone BD, Bousman JC, Bruneau P, Calef FJ, Calvet RJ, D'Agostino SA, de Los Santos G, Deen RG, Denise RW, Ervin J, Ferraro NW, Gengl HE, Grinblat F, Hernandez D, Hetzel M, Johnson ME, Khachikyan L, Lin JY, Madzunkov SM, Marshall SL, Mikellides IG, Miller EA, Raff W, Singer JE, Sunday CM, Villalvazo JF, Wallace MC, Banfield D, Rodriguez-Manfredi JA, Russell CT, Trebi-Ollennu A, Maki JN, Beucler E, Böse M, Bonjour C, Berenguer JL, Ceylan S, Clinton J, Conejero V, Daubar I, Dehant V, Delage P, Euchner F, Estève I, Fayon L, Ferraioli L, Johnson CL, Gagnepain-Beyneix J, Golombek M, Khan A, Kawamura T, Kenda B, Labrot P, Murdoch N, Pardo C, Perrin C, Pou L, Sauron A, Savoie D, Stähler S, Stutzmann E, Teanby NA, Tromp J, van Driel M, Wieczorek M, Widmer-Schnidrig R, Wookey J. SEIS: Insight's Seismic Experiment for Internal Structure of Mars. Space Sci Rev. 2019;215(1):12. doi: 10.1007/s11214-018-0574-6. Epub 2019 Jan 28. PMID: 30880848; PMCID: PMC6394762.
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GW and Bethe-Salpeter study of small water clusters.

The Journal of chemical physics

Blase X, Boulanger P, Bruneval F, Fernandez-Serra M, Duchemin I.
PMID: 26801022
J Chem Phys. 2016 Jan 21;144(3):034109. doi: 10.1063/1.4940139.

We study within the GW and Bethe-Salpeter many-body perturbation theories the electronic and optical properties of small (H2O)n water clusters (n = 1-6). Comparison with high-level CCSD(T) Coupled-Cluster at the Single Double (Triple) levels and ADC(3) Green's function third...

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Blase X, Boulanger P, Bruneval F, et al. GW and Bethe-Salpeter study of small water clusters. J Chem Phys. 2016;144(3):034109doi: 10.1063/1.4940139.
Blase, X., Boulanger, P., Bruneval, F., Fernandez-Serra, M., & Duchemin, I. (2016). GW and Bethe-Salpeter study of small water clusters. The Journal of chemical physics, 144(3), 034109. https://doi.org/10.1063/1.4940139
Blase, Xavier, et al. "GW and Bethe-Salpeter study of small water clusters." The Journal of chemical physics vol. 144,3 (2016): 034109. doi: https://doi.org/10.1063/1.4940139
Blase X, Boulanger P, Bruneval F, Fernandez-Serra M, Duchemin I. GW and Bethe-Salpeter study of small water clusters. J Chem Phys. 2016 Jan 21;144(3):034109. doi: 10.1063/1.4940139. PMID: 26801022.
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Composite biomarkers defined by multiparametric immunofluorescence analysis identify ALK-positive adenocarcinoma as a potential target for immunotherapy.

Oncoimmunology

Roussel H, De Guillebon E, Biard L, Mandavit M, Gibault L, Fabre E, Antoine M, Hofman P, Beau-Faller M, Blons H, Danel C, Barthes FLP, Gey A, Granier C, Wislez M, Laurent-Puig P, Oudard S, Bruneval P, Badoual C, Cadranel J, Tartour E.
PMID: 28507793
Oncoimmunology. 2017 Feb 21;6(4):e1286437. doi: 10.1080/2162402X.2017.1286437. eCollection 2017.

Anaplastic lymphoma kinase (ALK) inhibitors have been successfully developed for non-small cell lung carcinoma (NSCLC) displaying chromosomal rearrangements of the

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Roussel H, De Guillebon E, Biard L, et al. Composite biomarkers defined by multiparametric immunofluorescence analysis identify ALK-positive adenocarcinoma as a potential target for immunotherapy. Oncoimmunology. 2017;6(4):e1286437doi: 10.1080/2162402X.2017.1286437.
Roussel, H., De Guillebon, E., Biard, L., Mandavit, M., Gibault, L., Fabre, E., Antoine, M., Hofman, P., Beau-Faller, M., Blons, H., Danel, C., Barthes, F. L. P., Gey, A., Granier, C., Wislez, M., Laurent-Puig, P., Oudard, S., Bruneval, P., Badoual, C., Cadranel, J., & Tartour, E. (2017). Composite biomarkers defined by multiparametric immunofluorescence analysis identify ALK-positive adenocarcinoma as a potential target for immunotherapy. Oncoimmunology, 6(4), e1286437. https://doi.org/10.1080/2162402X.2017.1286437
Roussel, Hélène, et al. "Composite biomarkers defined by multiparametric immunofluorescence analysis identify ALK-positive adenocarcinoma as a potential target for immunotherapy." Oncoimmunology vol. 6,4 (2017): e1286437. doi: https://doi.org/10.1080/2162402X.2017.1286437
Roussel H, De Guillebon E, Biard L, Mandavit M, Gibault L, Fabre E, Antoine M, Hofman P, Beau-Faller M, Blons H, Danel C, Barthes FLP, Gey A, Granier C, Wislez M, Laurent-Puig P, Oudard S, Bruneval P, Badoual C, Cadranel J, Tartour E. Composite biomarkers defined by multiparametric immunofluorescence analysis identify ALK-positive adenocarcinoma as a potential target for immunotherapy. Oncoimmunology. 2017 Feb 21;6(4):e1286437. doi: 10.1080/2162402X.2017.1286437. eCollection 2017. PMID: 28507793; PMCID: PMC5414864.
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Evaluating the GW Approximation with CCSD(T) for Charged Excitations Across the Oligoacenes.

Journal of chemical theory and computation

Rangel T, Hamed SM, Bruneval F, Neaton JB.
PMID: 27123935
J Chem Theory Comput. 2016 Jun 14;12(6):2834-42. doi: 10.1021/acs.jctc.6b00163. Epub 2016 May 09.

Charged excitations of the oligoacene family of molecules, relevant for astrophysics and technological applications, are widely studied and therefore provide an excellent system for benchmarking theoretical methods. In this work, we evaluate the performance of many-body perturbation theory within...

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Rangel T, Hamed SM, Bruneval F, et al. Evaluating the GW Approximation with CCSD(T) for Charged Excitations Across the Oligoacenes. J Chem Theory Comput. 2016;12(6):2834-42doi: 10.1021/acs.jctc.6b00163.
Rangel, T., Hamed, S. M., Bruneval, F., & Neaton, J. B. (2016). Evaluating the GW Approximation with CCSD(T) for Charged Excitations Across the Oligoacenes. Journal of chemical theory and computation, 12(6), 2834-42. https://doi.org/10.1021/acs.jctc.6b00163
Rangel, Tonatiuh, et al. "Evaluating the GW Approximation with CCSD(T) for Charged Excitations Across the Oligoacenes." Journal of chemical theory and computation vol. 12,6 (2016): 2834-42. doi: https://doi.org/10.1021/acs.jctc.6b00163
Rangel T, Hamed SM, Bruneval F, Neaton JB. Evaluating the GW Approximation with CCSD(T) for Charged Excitations Across the Oligoacenes. J Chem Theory Comput. 2016 Jun 14;12(6):2834-42. doi: 10.1021/acs.jctc.6b00163. Epub 2016 May 09. PMID: 27123935.
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A case study of proton shuttling in palladium catalysis.

Chemical science

Monot J, Brunel P, Kefalidis CE, Espinosa-Jalapa NÁ, Maron L, Martin-Vaca B, Bourissou D.
PMID: 29899945
Chem Sci. 2016 Mar 01;7(3):2179-2187. doi: 10.1039/c5sc04232a. Epub 2015 Dec 07.

The mechanism of alkynoic acid cycloisomerization with SCS indenediide Pd pincer complexes has been investigated experimentally and computationally. These studies confirmed the cooperation between the Pd center and the backbone of the pincer ligand, and revealed the involvement of...

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Monot J, Brunel P, Kefalidis CE, et al. A case study of proton shuttling in palladium catalysis. Chem Sci. 2015;7(3):2179-2187doi: 10.1039/c5sc04232a.
Monot, J., Brunel, P., Kefalidis, C. E., Espinosa-Jalapa, N. �. �., Maron, L., Martin-Vaca, B., & Bourissou, D. (2016). A case study of proton shuttling in palladium catalysis. Chemical science, 7(3), 2179-2187. https://doi.org/10.1039/c5sc04232a
Monot, Julien, et al. "A case study of proton shuttling in palladium catalysis." Chemical science vol. 7,3 (2016): 2179-2187. doi: https://doi.org/10.1039/c5sc04232a
Monot J, Brunel P, Kefalidis CE, Espinosa-Jalapa NÁ, Maron L, Martin-Vaca B, Bourissou D. A case study of proton shuttling in palladium catalysis. Chem Sci. 2016 Mar 01;7(3):2179-2187. doi: 10.1039/c5sc04232a. Epub 2015 Dec 07. PMID: 29899945; PMCID: PMC5968755.
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In situ multiplex immunofluorescence analysis of the inflammatory burden in kidney allograft rejection: A new tool to characterize the alloimmune response.

Nephrologie & therapeutique

Rabant M, Calvani J, Terada M, Lesaffre C, Duong Van Huyen JP, Bruneval P.
PMID: 30981395
Nephrol Ther. 2019 Apr;15:S43-S52. doi: 10.1016/j.nephro.2019.03.008.

Background: The exact composition and localization of the inflammatory burden during allograft rejection is difficult to analyse on the same biopsy slide. We tested the feasibility of detecting four distinct markers in a same paraffin-embedded tissue section from human...

Cite
Rabant M, Calvani J, Terada M, et al. Immunofluorescence multiparamétrique in situ : vers l’amélioration du phénotype de l’infiltrat cellulaire au cours du rejet d’allogreffe rénale. In situ multiplex immunofluorescence analysis of the inflammatory burden in kidney allograft rejection: A new tool to characterize the alloimmune response. Nephrol Ther. 2019;15:S43-S52doi: 10.1016/j.nephro.2019.03.008.
Rabant, M., Calvani, J., Terada, M., Lesaffre, C., Duong Van Huyen, J. P., & Bruneval, P. (2019). Immunofluorescence multiparamétrique in situ : vers l’amélioration du phénotype de l’infiltrat cellulaire au cours du rejet d’allogreffe rénale. In situ multiplex immunofluorescence analysis of the inflammatory burden in kidney allograft rejection: A new tool to characterize the alloimmune response. Nephrologie & therapeutique, 15S43-S52. https://doi.org/10.1016/j.nephro.2019.03.008
Rabant, Marion, et al. "Immunofluorescence multiparamétrique in situ : vers l’amélioration du phénotype de l’infiltrat cellulaire au cours du rejet d’allogreffe rénale." In situ multiplex immunofluorescence analysis of the inflammatory burden in kidney allograft rejection: A new tool to characterize the alloimmune response. Nephrologie & therapeutique vol. 15 (2019): S43-S52. doi: https://doi.org/10.1016/j.nephro.2019.03.008
Rabant M, Calvani J, Terada M, Lesaffre C, Duong Van Huyen JP, Bruneval P. Immunofluorescence multiparamétrique in situ : vers l’amélioration du phénotype de l’infiltrat cellulaire au cours du rejet d’allogreffe rénale. In situ multiplex immunofluorescence analysis of the inflammatory burden in kidney allograft rejection: A new tool to characterize the alloimmune response. Nephrol Ther. 2019 Apr;15:S43-S52. doi: 10.1016/j.nephro.2019.03.008. French. PMID: 30981395.
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