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Ab initio density functional theory: OEP-MBPT(2). A new orbital-dependent correlation functional

Grabowski, I., Hirata, S., Ivanov, S. & Bartlett, R. J., Mar 15 2002, In : Journal of Chemical Physics. 116, 11, p. 4415-4425 11 p.

Research output: Contribution to journalArticle

Ab initio description of heterostructural alloys: Thermodynamic and structural properties of Mgx Zn1-xO and Cd xZn1-xO

Schleife, A., Eisenacher, M., Rödl, C., Fuchs, F., Furthmüller, J. & Bechstedt, F., Jun 17 2010, In : Physical Review B - Condensed Matter and Materials Physics. 81, 24, 245210.

Research output: Contribution to journalArticle

Ab initio DFT - The seamless connection between WFT and DFT

Grabowski, I., Lotrich, V. & Hirata, S., Nov 10 2010, In : Molecular Physics. 108, 21-23, p. 3313-3322 10 p.

Research output: Contribution to journalArticle

Ab initio electron affinities of AlH, SiH, GaH, and GeH, including characterization of bound excited states of SiH- and GeH-

Woon, D. E. & Beck, D. R., Oct 19 2001, In : Chemical Physics Letters. 347, 1-3, p. 255-260 6 p.

Research output: Contribution to journalArticle

Ab initio investigation of the N2-HF complex: Accurate structure and energetics

Woon, D. E., Dunning, T. H. & Peterson, K. A., Jan 1 1996, In : Journal of Chemical Physics. 104, 15, p. 5883-5891 9 p.

Research output: Contribution to journalArticle

Ab-initio LDA calculations of the mean Coulomb potential V0 in slabs of crystalline Si, Ge and MgO

Kim, M. Y., Zuo, J. M. & Spence, J. C. H., Dec 1 1998, In : Physica Status Solidi (A) Applied Research. 166, 1, p. 445-454 10 p.

Research output: Contribution to journalArticle

Ab initio magnesium-solute transport database using exact diffusion theory

Agarwal, R. & Trinkle, D. R., May 15 2018, In : Acta Materialia. 150, p. 339-350 12 p.

Research output: Contribution to journalArticle

Ab initio modeling of (LiF)2 and (LiF)2(H2O)

Woon, D. E., Jan 1 1994, In : Journal of physical chemistry. 98, 36, p. 8831-8833 3 p.

Research output: Contribution to journalArticle

Ab initio modeling of quasielastic neutron scattering of hydrogen pipe diffusion in palladium

Schiavone, E. J. & Trinkle, D., Aug 26 2016, In : Physical Review B. 94, 5, 054114.

Research output: Contribution to journalArticle

Ab initio molecular crystal structures, spectra, and phase diagrams

Hirata, S., Gilliard, K., He, X., Li, J. & Sode, O., Sep 16 2014, In : Accounts of chemical research. 47, 9, p. 2721-2730 10 p.

Research output: Contribution to journalArticle

Ab initio molecular dynamics of liquid water using embedded-fragment second-order many-body perturbation theory towards its accurate property prediction

Willow, S. Y., Salim, M. A., Kim, K. S. & Hirata, S., Sep 24 2015, In : Scientific reports. 5, 14358.

Research output: Contribution to journalArticle

Ab initio potentials and pressure second virial coefficients for CH 4-H2O and CH4-H2S

Woon, D. E., Zeng, P. & Beck, D. R., Jan 1 1990, In : The Journal of Chemical Physics. 93, 11, p. 7808-7812 5 p.

Research output: Contribution to journalArticle

Ab Initio Quantum Chemical Studies of Reactions in Astrophysical Ices: 2. Reactions in H2CO/HCN/HNC/H2O Ices

Woon, D. E., Jan 1 2001, In : Icarus. 149, 1, p. 277-284 8 p.

Research output: Contribution to journalArticle

Ab initio simulations of molten Ni alloys

Woodward, C., Asta, M., Trinkle, D. R., Lill, J. & Angioletti-Uberti, S., Jun 1 2010, In : Journal of Applied Physics. 107, 11, 113522.

Research output: Contribution to journalArticle

Ab initio studies of amide-15N chemical shifts in dipeptides: Applications to protein NMR spectroscopy

Le, H. & Oldfield, E., Oct 3 1996, In : Journal of physical chemistry. 100, 40, p. 16423-16428 6 p.

Research output: Contribution to journalArticle

Ab Initio Studies of Calcium Carbonate Hydration

Lopez-Berganza, J. A., Diao, Y., Pamidighantam, S. & Espinosa Marzal, R. M., Oct 27 2015, In : Journal of Physical Chemistry A. 119, 47, p. 11591-11600 10 p.

Research output: Contribution to journalArticle

Ab-initio studies of electronic and spectroscopic properties of MgO, ZnO and CdO

Schleife, A., Rödl, C., Fuchs, F., Furthmüller, J., Bechstedt, F., Jefferson, P. H., Veal, T. D., McConville, C. F., Piper, L. F. J., DeMasi, A., Smith, K. E., Lösch, H., Goldhahn, R., Cobet, C., Zúñiga-Pérez, J. & Muñoz-Sanjosé, V., Nov 1 2008, In : Journal of the Korean Physical Society. 53, 5 PART 2, p. 2811-2815 5 p.

Research output: Contribution to journalArticle

Ab initio study of the energetics of ionic hydration with the polarizable continuum model

Karampinos, D. C. & Georgiadis, J. G., Jul 1 2007, In : Nanoscale and Microscale Thermophysical Engineering. 11, 3-4, p. 363-378 16 p.

Research output: Contribution to journalArticle

A Binning Approach to Quickest Change Detection With Unknown Postchange Distribution

Lau, T. S., Tay, W. P. & Veeravalli, V. V., Feb 1 2019, In : IEEE Transactions on Signal Processing. 67, 3, p. 609-621 13 p., 8537967.

Research output: Contribution to journalArticle

A Binocular Stereovision System for Transplant Growth Variables Analysis

He, D. X., Matsuura, Y., Kozai, T. & Ting, K. C., Sep 1 2003, In : Applied Engineering in Agriculture. 19, 5, p. 611-617 7 p.

Research output: Contribution to journalArticle

A binomial coefficient identity associated to a conjecture of Beukers

Ahlgren, S. D., Ekhad, S. B., Ono, K. & Zeilberger, D., 1998, In : Electronic Journal of Combinatorics. 5, 1

Research output: Contribution to journalArticle

A bio assay for screening host mediated proximal mutagens in agriculture

Gentile, J. M. & Plewa, M. J., Jan 1 1975, In : Mutation Research. 31, 5, 1 p.

Research output: Contribution to journalArticle

A bioassay for the detection of benzimidazoles reveals their presence in a range of environmental samples

Crofts, T. S., Men, Y., Alvarez-Cohen, L. & Taga, M. E., Jan 1 2014, In : Frontiers in Microbiology. 5, NOV, 592.

Research output: Contribution to journalArticle

A biochemical characterization of the major peptides from the Venom of the giant Neotropical hunting ant Dinoponera australis

Johnson, S. R., Copello, J. A., Evans, M. S. & Suarez, A. V., Apr 1 2010, In : Toxicon. 55, 4, p. 702-710 9 p.

Research output: Contribution to journalArticle

A biochemical genetic evaluation of the northern and florida subspecies of largemouth bass

Philipp, D. P., Childers, W. F. & Whitt, G. S., Jan 1983, In : Transactions of the American Fisheries Society. 112, 1, p. 1-20 20 p.

Research output: Contribution to journalArticle

A biochemical mechanism for bacterial chemotaxis

Ordaq, G. W. & Fields, R. B., Oct 21 1977, In : Journal of Theoretical Biology. 68, 4, p. 491-500 10 p.

Research output: Contribution to journalArticle

A biocultural model of maturity-associated variance in adolescent physical activity

Cumming, S. P., Sherar, L. B., Pindus, D. M., Coelho-e-Silva, M. J., Malina, R. M. & Jardine, P. R., Mar 1 2012, In : International Review of Sport and Exercise Psychology. 5, 1, p. 23-43 21 p.

Research output: Contribution to journalArticle

A bioeconomic analysis of the texas shrimp fishery and its optimal management

Onal, H., McCarl, B. A., Griffin, W. L., Matlock, G. & Clark, J., Nov 1991, In : American Journal of Agricultural Economics. 73, 4, p. 1161-1170 10 p.

Research output: Contribution to journalArticle

A Bio-Economic Case Study of Canadian Honey Bee (Hymenoptera: Apidae) Colonies: Marker-Assisted Selection (MAS) in Queen Breeding Affects Beekeeper Profits

Bixby, M., Baylis, K., Hoover, S. E., Currie, R. W., Melathopoulos, A. P., Pernal, S. F., Foster, L. J. & Guarna, M. M., Jun 1 2017, In : Journal of economic entomology. 110, 3, p. 816-825 10 p.

Research output: Contribution to journalArticle

A bioenergy feedstock/vegetable double-cropping system

Williams, M. M., Aug 2014, In : Industrial Crops and Products. 59, p. 223-227 5 p.

Research output: Contribution to journalArticle

A biogenic hydrocarbon emission inventory for the U.S.A. using a simple forest canopy model

Lamb, B., Gay, D., Westberg, H. & Pierce, T., Aug 1993, In : Atmospheric Environment Part A, General Topics. 27, 11, p. 1673-1690 18 p.

Research output: Contribution to journalArticle

A biogenic-silica δ 18 O record of climate change during the last glacial-interglacial transition in southwestern Alaska

Hu, F. S. & Shemesh, A., May 2003, In : Quaternary Research. 59, 3, p. 379-385 7 p.

Research output: Contribution to journalArticle

A bio-inspired, microchanneled hydrogel with controlled spacing of cell adhesion ligands regulates 3D spatial organization of cells andtissue

Lee, M. K., Rich, M. H., Lee, J. & Kong, H., Jul 1 2015, In : Biomaterials. 58, p. 26-34 9 p.

Research output: Contribution to journalArticle

A bioinspired iron catalyst for nitrate and perchlorate reduction

Ford, C. L., Park, Y. J., Matson, E. M., Gordon, Z. & Fout, A. R., Nov 11 2016, In : Science. 354, 6313, p. 741-743 3 p.

Research output: Contribution to journalArticle

A Biomagnetic Sensory Mechanism Based on Magnetic Field Modulated Coherent Electron Spin Motion

Schulten, K., Swenberg, C. E. & Weiler, A., Jan 1 1978, In : Zeitschrift fur Physikalische Chemie. 111, 1, p. 1-5 5 p.

Research output: Contribution to journalArticle

A biomechanical model of feeding kinematics for Dunkleosteus terrelli (arthrodira, placodermi)

Anderson, P. S. L. & Westneat, M. W., Mar 1 2009, In : Paleobiology. 35, 2, p. 251-269 19 p.

Research output: Contribution to journalArticle

A biophysical model for analysis of transcription factor interaction and binding site arrangement from genome-wide binding data

He, X., Chen, C. C., Hong, F., Fang, F., Sinha, S., Ng, H. H. & Zhong, S., Dec 1 2009, In : PloS one. 4, 12, e8155.

Research output: Contribution to journalArticle

A biophysical model for integration of electrical, osmotic, and pH regulation in the human bronchial epithelium

Falkenberg, C. V. & Jakobsson, E., Apr 21 2010, In : Biophysical journal. 98, 8, p. 1476-1485 10 p.

Research output: Contribution to journalArticle

Open Access

A Biophysicochemical Model for NO Removal by the Chemical Absorption-Biological Reduction Integrated Process

Zhao, J., Xia, Y., Li, M., Li, S., Li, W. & Zhang, S., Aug 16 2016, In : Environmental Science and Technology. 50, 16, p. 8705-8712 8 p.

Research output: Contribution to journalArticle

A Biopsychosocial Conceptual Framework of Postpartum Depression Risk in Immigrant and U.S.-born Latina Mothers in the United States

Lara-Cinisomo, S., Girdler, S. S., Grewen, K. & Meltzer-Brody, S., May 1 2016, In : Women's Health Issues. 26, 3, p. 336-343 8 p.

Research output: Contribution to journalArticle

A bioreducible N-oxide-based probe for photoacoustic imaging of hypoxia

Knox, H. J., Hedhli, J., Kim, T. W., Khalili, K., Dobrucki, W. & Chan, J. K. F., Dec 1 2017, In : Nature communications. 8, 1, 1794.

Research output: Contribution to journalArticle

A biosynthetic model of cytochrome c oxidase as an electrocatalyst for oxygen reduction

Mukherjee, S., Mukherjee, A., Bhagi-Damodaran, A., Mukherjee, M., Lu, Y. & Dey, A., Oct 12 2015, In : Nature communications. 6, 8467.

Research output: Contribution to journalArticle

Abiotic correlates of microbial community structure and nitrogen cycling functions vary within wetlands

Peralta, A. L., Johnston, E. R., Matthews, J. W. & Kent, A. D., Jun 2016, In : Freshwater Science. 35, 2, p. 573-588 16 p.

Research output: Contribution to journalArticle

Abiotic reduction of nitroaromatic compounds by aqueous iron(II)-catechol complexes

Naka, D., Kim, D. & Strathmann, T. J., May 1 2006, In : Environmental Science and Technology. 40, 9, p. 3006-3012 7 p.

Research output: Contribution to journalArticle