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• Ab initio self-consistent study of the electronic structure and properties of cubic boron nitride

  Zunger, A. & Freeman, A. J., 1978, In: Physical Review B. 17, 4, p. 2030-2042 13 p.

  Research output: Contribution to journal › Article › peer-review
  80 Scopus citations

• Ab Initio Screening of Metal Catecholates for Adsorption of Toxic Pnictogen Hydride Gases

  Bobbitt, N. S. & Snurr, R. Q., Dec 6 2017, In: Industrial and Engineering Chemistry Research. 56, 48, p. 14324-14336 13 p.

  Research output: Contribution to journal › Article › peer-review
  6 Scopus citations

• AB INITIO PULSAR MAGNETOSPHERE: The ROLE of GENERAL RELATIVITY

  Philippov, A. A., Cerutti, B., Tchekhovskoy, A. & Spitkovsky, A., Dec 20 2015, In: Astrophysical Journal Letters. 815, 2, L19.

  Research output: Contribution to journal › Article › peer-review
  50 Scopus citations

• Ab Initio Predictions of Double-Layer TiO₂-Terminated SrTiO₃(001) Surface Reconstructions

  Cook, S. & Marks, L. D., Sep 27 2018, In: Journal of Physical Chemistry C. 122, 38, p. 21991-21997 7 p.

  Research output: Contribution to journal › Article › peer-review
  9 Scopus citations

• Ab initio prediction of pressure-induced structural phase transition of superconducting FeSe

  Rahman, G., Kim, I. G. & Freeman, A. J., Mar 7 2012, In: Journal of Physics Condensed Matter. 24, 9, 095502.

  Research output: Contribution to journal › Article › peer-review
  14 Scopus citations

• Ab initio prediction of ordered ground-state structures in ZrO2 -Y2 O3

  Predith, A., Ceder, G., Wolverton, C., Persson, K. & Mueller, T., Apr 4 2008, In: Physical Review B - Condensed Matter and Materials Physics. 77, 14, 144104.

  Research output: Contribution to journal › Article › peer-review
  70 Scopus citations

• Ab initio potential energy surface for IHI^-b. Simulation of IHI^- photodetachment spectra

  Schatz, G. C., Florance, S., Lee, T. J. & Bauschlicher, C. W., Feb 5 1993, In: Chemical Physics Letters. 202, 6, p. 495-500 6 p.

  Research output: Contribution to journal › Article › peer-review
  10 Scopus citations

• Ab initio phasing of X-ray powder diffraction patterns by charge flipping

  Wu, J., Leinenweber, K., Spence, J. C. H. & O'Keeffe, M., Aug 21 2006, In: Nature materials. 5, 8, p. 647-652 6 p.

  Research output: Contribution to journal › Article › peer-review
  65 Scopus citations

• Ab initio molecular orbital studies of polyethylene deformation

  Brower, A. L., Sabin, J. R., Crist, B. & Ratner, M. A., Jan 1 1980, In: International Journal of Quantum Chemistry. 18, 2, p. 651-654 4 p.

  Research output: Contribution to journal › Article › peer-review
  16 Scopus citations

• Ab initio modeling of excitonic and Charge-transfer states in organic semiconductors: The PTB1/PCBM low band gap system

  Borges, I., Aquino, A. J. A., Köhn, A., Nieman, R., Hase, W. L., Chen, L. X. & Lischka, H., Dec 11 2013, In: Journal of the American Chemical Society. 135, 49, p. 18252-18255 4 p.

  Research output: Contribution to journal › Article › peer-review
  50 Scopus citations

• Ab initio investigation of cobalt siting in zeolites

  McMillan, S. A., Broadbelt, L. J. & Snurr, R. Q., Dec 1 2001, In: ACS Division of Environmental Chemistry, Preprints. 41, 2, p. 360-365 6 p.

  Research output: Contribution to journal › Article › peer-review

• Ab initio investigation of cobalt siting in zeolites

  McMillan, S. A., Broadbelt, L. J. & Snurr, R. Q., Dec 1 2001, In: ACS National Meeting Book of Abstracts. 41, 2, p. 360-365 6 p.

  Research output: Contribution to journal › Article › peer-review

• Ab initio ground-state study with fourth-nearest-neighbor cluster interactions for fcc Pd-V alloys

  Wolverton, C., Ceder, G., De Fontaine, D. & Dreysse, H., Jan 1 1992, In: Physical Review B. 45, 22, p. 13105-13108 4 p.

  Research output: Contribution to journal › Article › peer-review
  21 Scopus citations

• Ab-initio electronic structure studies of mobility paths in fast-ion conductors-I. Results for MI₄^-3 clusters

  McOmber, J. I., Topiol, S., Ratner, M. A., Shriver, D. F. & Moskowitz, J. W., 1980, In: Journal of Physics and Chemistry of Solids. 41, 5, p. 447-453 7 p.

  Research output: Contribution to journal › Article › peer-review
  9 Scopus citations

• Ab initio electronic structure calculations of stationary points and barrier heights for the ClHCl and HCl₂ systems

  Vincent, M. A., Connor, J. N. L., Gordon, M. S. & Schatz, G. C., Feb 26 1993, In: Chemical Physics Letters. 203, 4, p. 415-422 8 p.

  Research output: Contribution to journal › Article › peer-review
  19 Scopus citations

• Ab initio determination of structural stability in fcc-based transition-metal alloys

  Wolverton, C., Ceder, G., De Fontaine, D. & Dreyssé, H., 1993, In: Physical Review B. 48, 2, p. 726-747 22 p.

  Research output: Contribution to journal › Article › peer-review
  58 Scopus citations

• Ab-initio Computation of the Pd-V Phase Diagram

  Ceder, G., Tepesch, P. D., Wolverton, C. & de Fontaine, D., 1994, Statics and Dynamics of Alloy Phase Transformations. Turchi, P. E. A. & Gonis, A. (eds.). New York: Plenum Press, (NATO ASI Series)(NATO ASI Series).

  Research output: Chapter in Book/Report/Conference proceeding › Chapter

• Ab-initio calculations of the electronic structure and cohesive properties of the orthorhombic oxynitrides x₂n₂o (x = c, si, ge)

  Ivanovskii, A. L., Medvedeva, N. I., Kontsevoi, O. Y. & Shveikin, G. P., Oct 2000, In: Physica Status Solidi (B) Basic Research. 221, 2, p. 647-655 9 p.

  Research output: Contribution to journal › Article › peer-review
  8 Scopus citations

• Ab initio calculations of the deformation of polyethylene

  Crist, B., Ratner, M. A., Brower, A. L. & Sabin, J. R., Dec 1 1979, In: Journal of Applied Physics. 50, 10, p. 6047-6051 5 p.

  Research output: Contribution to journal › Article › peer-review
  49 Scopus citations

• Ab initio calculation of transition state normal mode properties and rate constants for the H(T)+CH₄(CD₄) abstraction and exchange reactions

  Schatz, G. C., Walch, S. P. & Wagner, A. F., 1980, In: The Journal of Chemical Physics. 73, 9, p. 4536-4547 12 p.

  Research output: Contribution to journal › Article › peer-review
  45 Scopus citations

• Ab-initio calculation of the β-SiC/Ni interface

  Blasetti, A., Profeta, G., Picozzi, S., Continenza, A. & Freeman, A. J., 2001, Wide-Bandgap Electronics. Materials Research Society, p. 294-299 6 p. (Materials Research Society Symposium Proceedings; vol. 680).

  Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

• Ab initio calculation of the transition-state properties and addition rate constants for H + C₂H₂ and selected isotopic analogues

  Harding, L. B., Wagner, A. F., Bowman, J. M., Schatz, G. C. & Christoffel, K., Dec 1 1982, In: Journal of physical chemistry. 86, 22, p. 4312-4327 16 p.

  Research output: Contribution to journal › Article › peer-review
  52 Scopus citations

• Ab initio calculation of the Pd-V fcc superstructure phase diagram with fourth nearest neighbor cluster interactions

  Tepesch, P. D., Ceder, G., Wolverton, C. & De Fontaine, D., Jan 1 1993, Materials Theory and Modelling. Publ by Materials Research Society, Vol. 291. p. 129-134 6 p.

  Research output: Chapter in Book/Report/Conference proceeding › Conference contribution
  4 Scopus citations

• Ab Initio calculation of the electronic structure and optical properties of diamond using the discrete variational method

  Painter, G. S., Ellis, D. E. & Lubinsky, A. R., 1971, In: Physical Review B. 4, 10, p. 3610-3622 13 p.

  Research output: Contribution to journal › Article › peer-review
  185 Scopus citations

• Ab-initio calculation of the electronic structure and energetics of the unreconstructed Au(001) surface

  Eibler, R., Erschbaumer, H., Temnitschka, C., Podloucky, R. & Freeman, A. J., Jan 10 1993, In: Surface Science. 280, 3, p. 398-414 17 p.

  Research output: Contribution to journal › Article › peer-review
  15 Scopus citations

• Ab-initio calculation, using ab-initio pseudopotentials, of some electronic properties of ethane, methylsilane and disilane

  Topiol, S., Ratner, M. A. & Moskowitz, J. W., Feb 15 1977, In: Chemical Physics. 20, 1, p. 1-7 7 p.

  Research output: Contribution to journal › Article › peer-review
  19 Scopus citations

• Ab initio and semiempirical molecular orbital studies of surface enhanced and bulk hyper-Raman scattering from pyridine

  Yang, W. H. & Schatz, G. C., 1992, In: The Journal of Chemical Physics. 97, 5, p. 3831-3845 15 p.

  Research output: Contribution to journal › Article › peer-review
  74 Scopus citations

• Ab initio and RRKM studies of the reactions of C, CH, and ¹CH₂ with acetylene

  Guadagnini, R., Schatz, G. C. & Walch, S. P., Jul 16 1998, In: Journal of Physical Chemistry A. 102, 29, p. 5857-5866 10 p.

  Research output: Contribution to journal › Article › peer-review
  70 Scopus citations

• Abingdon Square, by Maria Irene Fornes

  Thebus, J. M., 2003

  Research output: Non-textual form › Performance

• A binding site for the T-cell co-receptor CD8 on the α₃ domain of HLA-A2

  Salter, R. D., Benjamin, R. J., Wesley, P. K., Buxton, S. E., Garrett, T. P. J., Clayberger, C., Krensky, A. M., Norment, A. M., Littman, D. R. & Parham, P., 1990, In: Nature. 345, 6270, p. 41-46 6 p.

  Research output: Contribution to journal › Article › peer-review
  471 Scopus citations

• A binding protein for lysosomal enzymes isolated from brain by phosphomannan-Sepharose chromatography

  Alvares, K. & Balasubramanian, A. S., Apr 29 1983, In: Biochemical and Biophysical Research Communications. 112, 2, p. 398-406 9 p.

  Research output: Contribution to journal › Article › peer-review
  11 Scopus citations

• A binary star fraction of 76 per cent and unusual orbit parameters for the blue stragglers of NGC 188

  Mathieu, R. D. & Geller, A. M., Dec 24 2009, In: Nature. 462, 7276, p. 1032-1035 4 p.

  Research output: Contribution to journal › Article › peer-review
  95 Scopus citations

• A Binary Sequential Communication Scheme With Information Feedback

  Ural, A. T. & Haddad, A. H., Jun 1972, In: IEEE Transactions on Communications. 20, 3, p. 423-429 7 p.

  Research output: Contribution to journal › Article › peer-review
  4 Scopus citations

• ABIN1 dysfunction as a genetic basis for lupus nephritis

  Caster, D. J., Korte, E. A., Nanda, S. K., McLeish, K. R., Oliver, R. K., G'Sell, R. T., Sheehan, R. M., Freeman, D. W., Coventry, S. C., Kelly, J. A., Guthridge, J. M., James, J. A., Sivils, K. L., Alarcon-Riquelme, M. E., Scofield, R. H., Adrianto, I., Gaffney, P. M., Stevens, A. M., Freedman, B. I., Langefeld, C. D., & 25 othersTsao, B. P., Pons-Estel, B. A., Jacob, C. O., Kamen, D. L., Gilkeson, G. S., Brown, E. E., Alarcon, G. S., Edberg, J. C., Kimberly, R. P., Martin, J., Merrill, J. T., Harley, J. B., Kaufman, K. M., Reveille, J. D., Anaya, J. M., Criswell, L. A., Vila, L. M., Petri, M., Ramsey-Goldman, R., Bae, S. C., Boackle, S. A., Vyse, T. J., Niewold, T. B., Cohen, P. & Powell, D. W., Nov 1 2013, In: Journal of the American Society of Nephrology. 24, 11, p. 1743-1754 12 p.

  Research output: Contribution to journal › Article › peer-review
  60 Scopus citations

• Ability of the hydrophobic fusion-related external domain of a paramyxovirus F protein to act as a membrane anchor

  Paterson, R. G. & Lamb, R. A., Feb 13 1987, In: Cell. 48, 3, p. 441-452 12 p.

  Research output: Contribution to journal › Article › peer-review
  64 Scopus citations

• Ability of Reduced Lung Function to Predict Development of Atrial Fibrillation in Persons Aged 45 to 84 Years (from the Multi-Ethnic Study of Atherosclerosis-Lung Study)

  Chahal, H., Heckbert, S. R., Barr, R. G., Bluemke, D. A., Jain, A., Habibi, M., Alonso, A., Kronmal, R., Jacobs, D. R., Lima, J. A. C., Watson, K. E., Liu, K., Smith, L. J. & Greenland, P., Jun 15 2015, In: American Journal of Cardiology. 115, 12, p. 1700-1704 5 p., 21056.

  Research output: Contribution to journal › Article › peer-review
  15 Scopus citations

• Ability of low-dose cyclophosphamide to overcome metastasis-induced immunosuppression

  Tuttle, T. M., Fleming, M. D., Hogg, P. S., Inge, T. H. & Bear, H. D., Jan 1994, In: Annals of surgical oncology. 1, 1, p. 53-58 6 p.

  Research output: Contribution to journal › Article › peer-review
  11 Scopus citations

• Ability of individuals with chronic hemiparetic stroke to locate their forearms during singlearm and between-Arms tasks

  Gurari, N., Drogos, J. M. & Dewald, J. P. A., Oct 2018, In: PloS one. 13, 10, e0206518.

  Research output: Contribution to journal › Article › peer-review
  2 Scopus citations

• Ability of implants of polymer-entrapped antiprogesterone antiserum to absorb and deplete progesterone from serum of the pregnant rat

  Cheesman, K. L., Chatterton, R. T., Mehta, R. R. & Venton, D. L., 1982, In: Fertility and Sterility. 38, 4, p. 475-481 7 p.

  Research output: Contribution to journal › Article › peer-review
  3 Scopus citations

• Ability of herpes simplex virus vectors to boost immune responses to DNA vectors and to protect against challenge by simian immunodeficiency virus

  Kaur, A., Sanford, H. B., Garry, D., Lang, S., Klumpp, S. A., Watanabe, D., Bronson, R. T., Lifson, J. D., Rosati, M., Pavlakis, G. N., Felber, B. K., Knipe, D. M. & Desrosiers, R. C., Jan 20 2007, In: Virology. 357, 2, p. 199-214 16 p.

  Research output: Contribution to journal › Article › peer-review
  44 Scopus citations

• Ability of electromyographic monitoring to determine the presence of malpositioned pedicle screws in the lumbosacral spine: Analysis of 2450 consecutively placed screws - Clinical article

  Parker, S. L., Amin, A. G., Farber, S. H., McGirt, M. J., Sciubba, D. M., Wolinsky, J. P., Bydon, A., Gokaslan, Z. L. & Witham, T. F., Aug 1 2011, In: Journal of Neurosurgery: Spine. 15, 2, p. 130-135 6 p.

  Research output: Contribution to journal › Article › peer-review
  60 Scopus citations

• Ability of a Genomic Classifier to Predict Metastasis and Prostate Cancer-specific Mortality after Radiation or Surgery based on Needle Biopsy Specimens

  Nguyen, P. L., Haddad, Z., Ross, A. E., Martin, N. E., Deheshi, S., Lam, L. L. C., Chelliserry, J., Tosoian, J. J., Lotan, T. L., Spratt, D. E., Stoyanova, R. S., Punnen, S., Ong, K., Buerki, C., Aranes, M., Kolisnik, T., Margrave, J., Yousefi, K., Choeurng, V., Davicioni, E., & 6 othersTrock, B. J., Kane, C. J., Pollack, A., Davis, J. W., Feng, F. Y. & Klein, E. A., Nov 2017, In: European urology. 72, 5, p. 845-852 8 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access
  62 Scopus citations

• Abilities of Oropharyngeal pH Tests and Salivary Pepsin Analysis to Discriminate Between Asymptomatic Volunteers and Subjects With Symptoms of Laryngeal Irritation

  Yadlapati, R., Adkins, C., Jaiyeola, D. M., Lidder, A. K., Gawron, A. J., Tan, B. K., Shabeeb, N., Price, C. P. E., Agrawal, N., Ellenbogen, M., Smith, S. S., Bove, M. & Pandolfino, J. E., Apr 1 2016, In: Clinical Gastroenterology and Hepatology. 14, 4, p. 535-542.e2

  Research output: Contribution to journal › Article › peer-review
  48 Scopus citations

• A bilingual advantage for episodic memory in older adults

  Schroeder, S. R. & Marian, V., Aug 1 2012, In: Journal of Cognitive Psychology. 24, 5, p. 591-601 11 p.

  Research output: Contribution to journal › Article › peer-review
  61 Scopus citations

• A Big Year Ahead for Nano in 2018

  Chan, W. W. C., Chhowalla, M., Farokhzad, O., Glotzer, S., Gogotsi, Y., Hafner, J. H., Hammond, P. T., Hersam, M. C., Javey, A., Kagan, C. R., Kataoka, K., Khademhosseini, A., Kotov, N. A., Lee, S. T., Li, Y., Millstone, J., Möhwald, H., Mulvaney, P. C., Nel, A. E., Nordlander, P. J., & 9 othersParak, W. J., Penner, R. M., Rogach, A. L., Schaak, R. E., Stevens, M. M., Wee, A. T. S., Willson, C. G., Fernandez, L. E. & Weiss, P. S., Dec 26 2017, In: ACS nano. 11, 12, p. 11755-11757 3 p.

  Research output: Contribution to journal › Editorial › peer-review

• A Bidirectional Nanomodification Approach for Synthesizing Hierarchically Architected Mixed Oxide Electrodes for Oxygen Evolution

  Rong, Q., Du, J. S., Chen, X., Liu, Q. & Dravid, V. P., 2021, (Accepted/In press) In: Small.

  Research output: Contribution to journal › Article › peer-review
  1 Scopus citations

• A bidirectional examination of expressed emotion among families of adolescents with bulimia nervosa

  Hoste, R. R., Lebow, J. & Le Grange, D., Mar 1 2015, In: International Journal of Eating Disorders. 48, 2, p. 249-252 4 p.

  Research output: Contribution to journal › Article › peer-review
  12 Scopus citations

• A bidirectional brain-machine interface connecting alert rodents to a dynamical system

  Boi, F., Semprini, M., Mussa-Ivaldi, F., Panzeri, S. & Vato, A., Nov 4 2015, 2015 37th Annual International Conference of the IEEE Engineering in Medicine and Biology Society, EMBC 2015. Institute of Electrical and Electronics Engineers Inc., Vol. 2015-November. p. 51-54 4 p. 7318298

  Research output: Chapter in Book/Report/Conference proceeding › Conference contribution
  8 Scopus citations

• A bidirectional brain-machine interface algorithm that approximates arbitrary force-fields

  Vato, A., Szymanski, F. D., Semprini, M., Mussa-Ivaldi, F. A. & Panzeri, S., Mar 13 2014, In: PloS one. 9, 3, e91677.

  Research output: Contribution to journal › Article › peer-review
  12 Scopus citations

• A bi-criterion dynamic user equilibrium traffic assignment model and solution algorithm for evaluating dynamic road pricing strategies

  Lu, C. C., Mahmassani, H. S. & Zhou, X., Aug 2008, In: Transportation Research Part C: Emerging Technologies. 16, 4, p. 371-389 19 p.

  Research output: Contribution to journal › Article › peer-review
  56 Scopus citations