يعرض 1 - 20 نتائج من 20 نتيجة بحث عن '"Lucero, Melissa J."', وقت الاستعلام: 0.45s تنقيح النتائج
  1. 1
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    The role of screened exact exchange in accurately describing properties of transition metal oxides: Modeling defects in LaAlO3

    المؤلفون: El-Mellouhi, Fedwa, Brothers, Edward N., Lucero, Melissa J., Scuseria, Gustavo E.

    مصطلحات موضوعية: Condensed Matter - Materials Science

    URL الوصول: http://arxiv.org/abs/1311.1340

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  2. 2
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    Neutral defects in SrTiO3 studied with screened hybrid density functional theory

    المؤلفون: El-Mellouhi, Fedwa, Brothers, Edward N, Lucero, Melissa J, Scuseria, Gustavo E

    المصدر: J. Phys.: Condens. Matter 25 (2013) 135501 (8pp)

    مصطلحات موضوعية: Condensed Matter - Materials Science

    URL الوصول: http://arxiv.org/abs/1303.0471

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  3. 3
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    Structural Phase Transitions of the Metal Oxide Perovskites SrTiO3, LaAlO3 and LaTiO3 Studied with a Screened Hybrid Functional

    المؤلفون: El-Mellouhi, Fedwa, Brothers, Edward N., Lucero, Melissa J., Bulik, Ireneusz W., Scuseria, Gustavo E.

    مصطلحات موضوعية: Condensed Matter - Strongly Correlated Electrons, Condensed Matter - Materials Science

    URL الوصول: http://arxiv.org/abs/1211.6371

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  4. 4
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    Improved Semiconductor Lattice Parameters and Band Gaps from a Middle-Range Screened Hybrid Functional

    المؤلفون: Lucero, Melissa J., Henderson, Thomas M., Scuseria, Gustavo E.

    المصدر: J. Phys. Condens. Matter 24, 145504 (2012)

    مصطلحات موضوعية: Condensed Matter - Materials Science

    URL الوصول: http://arxiv.org/abs/1111.4515

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  5. 5
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    Accurate Modeling of the Cubic and Antiferrodistortive Phases of SrTiO3 with Screened Hybrid Density Functional Theory

    المؤلفون: El-Mellouhi, Fadwa, Brothers, Edward N., Lucero, Melissa J., Scuseria, Gustavo E.

    مصطلحات موضوعية: Physics - Computational Physics, Condensed Matter - Materials Science

    URL الوصول: http://arxiv.org/abs/1105.3353

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  6. 6
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    Molecular-orbital-free algorithm for excited states in time-dependent perturbation theory

    المؤلفون: Lucero, Melissa J., Niklasson, Anders M. N., Tretiak, Sergei, Challacombe, Matt

    المصدر: J. Chem. Phys. 129, 064114 (2008)

    مصطلحات موضوعية: Condensed Matter - Materials Science

    URL الوصول: http://arxiv.org/abs/0805.3313

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  7. 7
    Academic Journal
    Screened hybrid and self-consistent GW calculations of cadmium/magnesium indium sulfide materials

    المؤلفون: Lucero, Melissa J., Aguilera Bonet, Irene, Diaconu, Christian, Palacios Clemente, Pablo, Wahnón Benarroch, Perla, Scuseria, Gustavo E.

    المصدر: Physical Review B, ISSN 2469-9950, 2011, Vol. 83, No. 20

    مصطلحات موضوعية: Telecomunicaciones

    وصف الملف: application/pdf

    Relation: https://journals.aps.org/prb/abstract/10.1103/PhysRevB.83.205128; info:eu-repo/grantAgreement/MINECO//CSD2006-04; info:eu-repo/grantAgreement/MINECO//MAT2009-14625-C03-01; info:eu-repo/grantAgreement/CAM//S-2009ENE-1477; https://oa.upm.es/62394/

    الاتاحة: https://oa.upm.es/62394/

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  8. 8
    Academic Journal
    Complex Analysis of the Aluminum Siting in the Framework of Silicon-Rich Zeolites. A Case Study on Ferrierites

    المؤلفون: Dedecek, Jiri, Lucero, Melissa J., Li, Chengbin, Gao, Fei, Klein, Petr, Urbanova, Martina, Tvaruzkova, Zdenka, Sazama, Petr, Sklenak, Stepan

    المصدر: The Journal of Physical Chemistry C ; volume 115, issue 22, page 11056-11064 ; ISSN 1932-7447 1932-7455

    الاتاحة: https://doi.org/10.1021/jp200310b
    https://pubs.acs.org/doi/pdf/10.1021/jp200310b

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  9. 9
    Academic Journal
    Stereoselective synthesis of the tetracyclic core of manzamine via the vinylogous amide photocycloaddition cascade

    المؤلفون: Winkler, Jeffrey D., Axten, Jeffrey, Hammach, Abdel Hakim, Kwak, Young-Shin, Lengweiler, Urs, Lucero, Melissa J., Houk, K.N.

    المصدر: Tetrahedron ; volume 54, issue 25, page 7045-7056 ; ISSN 0040-4020

    الاتاحة: http://dx.doi.org/10.1016/s0040-4020(98)00346-9
    https://api.elsevier.com/content/article/PII:S0040402098003469?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S0040402098003469?httpAccept=text/plain

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  10. 10
    Academic Journal
    Structural phase transitions of the metal oxide perovskites SrTiO 3 , LaAlO 3 , and LaTiO 3 studied with a screened hybrid functional

    المؤلفون: El-Mellouhi, Fedwa, Brothers, Edward N., Lucero, Melissa J., Bulik, Ireneusz W., Scuseria, Gustavo E.

    المصدر: Physical Review B ; volume 87, issue 3 ; ISSN 1098-0121 1550-235X

    الاتاحة: http://dx.doi.org/10.1103/physrevb.87.035107
    http://link.aps.org/article/10.1103/PhysRevB.87.035107
    http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.87.035107/fulltext

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  11. 11
    Academic Journal
    Role of screened exact exchange in accurately describing properties of transition metal oxides: Modeling defects in LaAlO 3

    المؤلفون: El-Mellouhi, Fedwa, Brothers, Edward N., Lucero, Melissa J., Scuseria, Gustavo E.

    المصدر: Physical Review B ; volume 88, issue 21 ; ISSN 1098-0121 1550-235X

    الاتاحة: http://dx.doi.org/10.1103/physrevb.88.214102
    http://link.aps.org/article/10.1103/PhysRevB.88.214102
    http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.88.214102/fulltext

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  12. 12
    Academic Journal
    Modeling of the cubic and antiferrodistortive phases of SrTiO 3 with screened hybrid density functional theory

    المؤلفون: El-Mellouhi, Fedwa, Brothers, Edward N., Lucero, Melissa J., Scuseria, Gustavo E.

    المصدر: Physical Review B ; volume 84, issue 11 ; ISSN 1098-0121 1550-235X

    الاتاحة: http://dx.doi.org/10.1103/physrevb.84.115122
    http://link.aps.org/article/10.1103/PhysRevB.84.115122
    http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.84.115122/fulltext

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  13. 13
    Academic Journal
    Erratum: Modeling of the cubic and antiferrodistortive phases of SrTiO 3 with screened hybrid density functional theory [Phys. Rev. B84, 115122 (2011)]

    المؤلفون: El-Mellouhi, Fedwa, Brothers, Edward N., Lucero, Melissa J., Scuseria, Gustavo E.

    المصدر: Physical Review B ; volume 84, issue 19 ; ISSN 1098-0121 1550-235X

    الاتاحة: http://dx.doi.org/10.1103/physrevb.84.199907
    http://link.aps.org/article/10.1103/PhysRevB.84.199907
    http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.84.199907/fulltext

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  14. 14
    Academic Journal
    The indirect to direct band gap transition in multilayered MoS2 as predicted by screened hybrid density functional theory

    المؤلفون: Ellis, Jason K., Lucero, Melissa J., Scuseria, Gustavo E.

    المساهمون: U.S. Department of Energy, National Science Foundation

    المصدر: Applied Physics Letters ; volume 99, issue 26 ; ISSN 0003-6951 1077-3118

    الاتاحة: http://dx.doi.org/10.1063/1.3672219
    https://pubs.aip.org/aip/apl/article-pdf/doi/10.1063/1.3672219/14461845/261908_1_online.pdf

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  15. 15
    Academic Journal
    Improved treatment of cyclic ?-amino acids and successful prediction of ?-peptide secondary structure using a modified force field: AMBER*C

    المؤلفون: Christianson, Laurie A., Lucero, Melissa J., Appella, Daniel H., Klein, Daniel A., Gellman, Samuel H.

    المصدر: Journal of Computational Chemistry ; volume 21, issue 9, page 763-773 ; ISSN 0192-8651 1096-987X

    الاتاحة: http://dx.doi.org/10.1002/(sici)1096-987x(20000715)21:9%3C763::aid-jcc5%3E3.0.co%3B2-c
    https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1002%2F(SICI)1096-987X(20000715)21:9%3C763::AID-JCC5%3E3.0.CO%3B2-C
    https://onlinelibrary.wiley.com/doi/full/10.1002/(SICI)1096-987X(20000715)21:9%3C763::AID-JCC5%3E3.0.CO%3B2-C

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  16. 16
    Academic Journal
    Torsional Control of Epoxidation Stereoselectivity in 1,2-Dihydronaphthalenes. Transition State Modeling with Semiempirical Quantum Mechanics

    المؤلفون: Lucero, Melissa J., Houk, K. N.

    المصدر: The Journal of Organic Chemistry ; volume 63, issue 20, page 6973-6977 ; ISSN 0022-3263 1520-6904

    الاتاحة: http://dx.doi.org/10.1021/jo980760g
    https://pubs.acs.org/doi/pdf/10.1021/jo980760g

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  17. 17
    Academic Journal
    Conformational Transmission of Chirality: The Origin of 1,4-Asymmetric Induction in Michael Reactions of Chiral Imines

    المؤلفون: Lucero, Melissa J., Houk, K. N.

    المصدر: Journal of the American Chemical Society ; volume 119, issue 4, page 826-827 ; ISSN 0002-7863 1520-5126

    الاتاحة: http://dx.doi.org/10.1021/ja962819b
    https://pubs.acs.org/doi/pdf/10.1021/ja962819b

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  18. 18
    Academic Journal
    Neutral defects in SrTiO3 studied with screened hybrid density functional theory.

    المؤلفون: El-Mellouhi, Fedwa, Brothers, Edward N., Lucero, Melissa J., Scuseria, Gustavo E.

    المصدر: Journal of Physics: Condensed Matter; 2013, Vol. 25 Issue 13, p1-8, 8p


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  19. 19
    Screened hybrid and self-consistent GW calculations of cadmium/magnesium indium sulfide materials

    المؤلفون: Lucero, Melissa J., Aguilera, Irene, Diaconu, Cristian V., Palacios, Pablo, Wahnón, Perla, Scuseria, Gustavo E.

    وصف الملف: application/pdf

    Relation: http://www.osti.gov/servlets/purl/1099465; https://www.osti.gov/biblio/1099465; https://doi.org/10.1103/PhysRevB.83.205128

    الاتاحة: http://www.osti.gov/servlets/purl/1099465
    https://www.osti.gov/biblio/1099465
    https://doi.org/10.1103/PhysRevB.83.205128

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  20. 20
    Academic Journal
    Improved treatment of cyclic β-amino acids and successful prediction of β-peptide secondary structure using a modified force field: AMBER*C.

    المؤلفون: Christianson, Laurie A., Lucero, Melissa J., Appella, Daniel H., Klein, Daniel A., Gellman, Samuel H.

    المصدر: Journal of Computational Chemistry; Jul2000, Vol. 21 Issue 9, p763-773, 11p


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