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284 Citations (Scopus)

Ab initio lattice stability in comparison with CALPHAD lattice stability

Wang, Y., Curtarolo, S., Jiang, C., Arroyave, R., Wang, T., Ceder, G., Chen, L. & Liu, Z., Mar 1 2004, In : Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 28, 1, p. 79-90 12 p.

Research output: Contribution to journalArticle

Transition Elements
Convergence of numerical methods
Alloying
Extrapolation
Crystal structure
9 Citations (Scopus)

Ab initio modeling of volume-temperature curves for glassforming systems

Mauro, J., Loucks, R. J., Balakrishnan, J. & Varshneya, A. K., May 15 2007, In : Journal of Non-Crystalline Solids. 353, 13-15 SPEC. ISS., p. 1274-1278 5 p.

Research output: Contribution to journalArticle

curves
Enthalpy
enthalpy
Temperature
temperature
26 Citations (Scopus)

Ab initio molecular dynamics simulation for structural transition of Zr during rapid quenching processes

Fang, H. Z., Hui, X., Chen, G. L., Öttking, R., Liu, Y. H., Schaefer, J. A. & Liu, Z., Oct 1 2008, In : Computational Materials Science. 43, 4, p. 1123-1129 7 p.

Research output: Contribution to journalArticle

Rapid quenching
Quenching
Molecular Dynamics Simulation
Molecular dynamics
Liquid
7 Citations (Scopus)

Ab initio molecular dynamics simulation of the atom packing and density of Al-Ni amorphous alloys

Yu, C., Hui, X., Chen, X., Liu, X., Lin, D., Liu, Z. & Chen, G., Dec 1 2010, In : Science China Technological Sciences. 53, 12, p. 3175-3182 8 p.

Research output: Contribution to journalArticle

Amorphous alloys
Molecular dynamics
Atoms
Computer simulation
Glass
1 Citation (Scopus)

Ab initio molecular dynamics simulation of the liquid and amorphous structure of Mg65Cu25Gd10 alloy

Gao, R., Zhao, Y. F., Liu, X. J., Liu, Z. & Hui, X., Jan 1 2013, In : Physica B: Condensed Matter. 426, p. 65-70 6 p.

Research output: Contribution to journalArticle

Molecular dynamics
molecular dynamics
Computer simulation
Liquids
liquids
6 Citations (Scopus)

Ab initio molecular dynamics study of hydroxide diffusion mechanisms in nanoconfined structural mimics of anion exchange membranes

Zelovich, T., Long, Z., Hickner, M. A., Paddison, S. J., Bae, C. & Tuckerman, M. E., Jan 1 2019, In : Journal of Physical Chemistry C.

Research output: Contribution to journalArticle

hydroxides
Anions
Molecular dynamics
Ion exchange
Negative ions
23 Citations (Scopus)

Ab initio molecular dynamics study of methanol adsorption on copper clusters

Hsu, W. D., Ichihashi, M., Kondow, T. & Sinnott, S. B., Jan 25 2007, In : Journal of Physical Chemistry A. 111, 3, p. 441-449 9 p.

Research output: Contribution to journalArticle

Methanol
Molecular dynamics
Copper
methyl alcohol
molecular dynamics
49 Citations (Scopus)

Ab initio molecular orbital study on the electronic structures and reactivity of boron-substituted carbon

Wu, X. & Radovic, L. R., Oct 21 2004, In : Journal of Physical Chemistry A. 108, 42, p. 9180-9187 8 p.

Research output: Contribution to journalArticle

Boron
Molecular orbitals
Electronic structure
molecular orbitals
boron
4 Citations (Scopus)

Ab initio quantum chemical and ReaxFF-based study of the intramolecular iminium-enamine conversion in a proline-catalyzed reaction

Hubin, P. O., Jacquemin, D., Leherte, L., André, J. M., Van Duin, A. & Vercauteren, D. P., Aug 9 2012, In : Theoretical Chemistry Accounts. 131, 8, p. 1-11 11 p.

Research output: Contribution to journalArticle

Quantum theory
Proline
quantum mechanics
Stereoselectivity
Chirality
12 Citations (Scopus)

Ab initio simulations of the electrochemical activation of water

Taylor, C. D., Janik, M. J., Neurock, M. & Kelly, R. G., Apr 1 2007, In : Molecular Simulation. 33, 4-5, p. 429-436 8 p.

Research output: Contribution to journalArticle

Activation
Chemical activation
activation
Water
water
25 Citations (Scopus)

Ab initio study of dissolution and precipitation reactions from the edge, kink, and terrace sites of quartz as a function of pH

Nangia, S. & Garrison, B. J., Jan 1 2009, In : Molecular Physics. 107, 8-12, p. 831-843 13 p.

Research output: Contribution to journalArticle

Quartz
Minerals
dissolving
Dissolution
Hydrolysis
1 Citation (Scopus)

Ab initio study of P6(D6h) and P12(D6h)

Feng, J. N., Huang, X. R., Li, Z. S., Sun, C. C. & Zhang, G., Dec 1 1996, In : Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities. 17, 7

Research output: Contribution to journalArticle

Molecules
Vibrational spectra
6 Citations (Scopus)

Ab initio study of the H + ClONO2 reaction

Chen, X., Zhang, X., Han, K. & Varandas, A. J. C., Apr 15 2006, In : Chemical Physics Letters. 421, 4-6, p. 453-459 7 p.

Research output: Contribution to journalArticle

Energy barriers
Rate constants
Substitution reactions
Geometry
attack
39 Citations (Scopus)

Ab initio thermodynamic evaluation of Pd atom interaction with CeO 2 surfaces

Mayernick, A. D. & Janik, M. J., Sep 7 2009, In : Journal of Chemical Physics. 131, 8, 084701.

Research output: Contribution to journalArticle

Cerium compounds
Palladium
palladium
Thermodynamics
Atoms
4 Citations (Scopus)
Oxides
metal oxides
Monolayers
Metals
Thermodynamics
88 Citations (Scopus)

Ab initio thermodynamic properties of stoichiometric phases in the Ni-Al system

Arroyave, R., Shin, D. & Liu, Z., Apr 1 2005, In : Acta Materialia. 53, 6, p. 1809-1819 11 p.

Research output: Contribution to journalArticle

Free energy
Thermodynamic properties
Density functional theory
Enthalpy
Entropy
6 Citations (Scopus)
Steam reforming
Reforming reactions
Sulfur
steam
sulfur
32 Citations (Scopus)

Ab initio thermodynamic study of the CO 2 capture properties of potassium carbonate sesquihydrate, K 2CO 3·1.5H 2O

Duan, Y., Luebke, D. R., Pennline, H. W., Li, B., Janik, M. J. & Halley, J. W., Jul 12 2012, In : Journal of Physical Chemistry C. 116, 27, p. 14461-14470 10 p.

Research output: Contribution to journalArticle

Potash
Carbon Monoxide
carbonates
potassium
sorbents
20 Citations (Scopus)

A biochemical framework for anaerobic oxidation of methane driven by Fe(III)-dependent respiration

Yan, Z., Joshi, P., Gorski, C. A. & Ferry, J. G., Dec 1 2018, In : Nature communications. 9, 1, 1642.

Research output: Contribution to journalArticle

Methane
respiration
Respiration
methane
Oxidation
10 Citations (Scopus)

A biofilm microreactor system for simultaneous electrochemical and nuclear magnetic resonance techniques

Renslow, R. S., Babauta, J. T., Majors, P. D., Mehta, H. S., Ewing, R. J., Ewing, T. W., Mueller, K. T. & Beyenal, H., Jan 1 2014, In : Water Science and Technology. 69, 5, p. 966-973 8 p.

Research output: Contribution to journalArticle

Biofilms
biofilm
nuclear magnetic resonance
Nuclear magnetic resonance
electrode
35 Citations (Scopus)

A Bioindicator for Verification of Thermal Processes for Particulate Foods

SASTRY, S. K., LI, S. F., PATEL, P., KONANAYAKAM, M., BAFNA, P., DOORES, S. & BEELMAN, R. B., 1988, In : Journal of Food Science. 53, 5, p. 1528-1536 9 p.

Research output: Contribution to journalArticle

Spores
particulates
Hot Temperature
heat
Food
23 Citations (Scopus)

A bioinformatic survey of RNA-binding proteins in Plasmodium

Reddy, BP. N., Shrestha, S., Hart, K. J., Liang, X., Kemirembe, K., Cui, L. & Lindner, S. E., Nov 2 2015, In : BMC genomics. 16, 1, 890.

Research output: Contribution to journalArticle

RNA-Binding Proteins
Plasmodium
Computational Biology
Plasmodium falciparum
Parasites
51 Citations (Scopus)

A bio-inspired shape memory alloy composite (BISMAC) actuator

Villanueva, A. A., Joshi, K. B., Blottman, J. B. & Priya, S., Feb 19 2010, In : Smart Materials and Structures. 19, 2, 025013.

Research output: Contribution to journalArticle

shape memory alloys
Shape memory effect
Actuators
actuators
composite materials
7 Citations (Scopus)

A biologically informed method for detecting rare variant associations

Moore, C. C. B., Basile, A. O., Wallace, J. R., Frase, A. T. & Ritchie, M. D., Aug 30 2016, In : BioData Mining. 9, 1, 27.

Research output: Contribution to journalArticle

Binning
Software Package
Software packages
Software
Bioinformatics
63 Citations (Scopus)

A biomarker based on the stable isotopes of nickel

Cameron, V., Vance, D., Archer, C. & House, C. H., Jul 7 2009, In : Proceedings of the National Academy of Sciences of the United States of America. 106, 27, p. 10944-10948 5 p.

Research output: Contribution to journalArticle

Nickel
Isotopes
Biomarkers
Metals
Planets
45 Citations (Scopus)

A biomechanical study of posterior glenoid bone loss and humeral head translation

Bryce, C. D., Davison, A. C., Okita, N., Lewis, G., Sharkey, N. & Armstrong, A., Oct 1 2010, In : Journal of Shoulder and Elbow Surgery. 19, 7, p. 994-1002 9 p.

Research output: Contribution to journalArticle

Humeral Head
Humerus
Bone and Bones
Arm
Arthroplasty

A biomimetic 2D transistor for audiomorphic computing

Das, S., Dodda, A. & Das, S., Dec 1 2019, In : Nature communications. 10, 1, 3450.

Research output: Contribution to journalArticle

Open Access
Biomimetic Materials
Strigiformes
Biomimetics
biomimetics
Transistors
11 Citations (Scopus)

A biomimetic projector with high subwavelength directivity based on dolphin biosonar

Zhang, Y., Gao, X., Zhang, S., Cao, W., Tang, L., Wang, D. & Li, Y., Sep 22 2014, In : Applied Physics Letters. 105, 12, 123502.

Research output: Contribution to journalArticle

dolphins
biomimetics
directivity
projectors
porpoises
129 Citations (Scopus)

A biomimetic robotic jellyfish (Robojelly) actuated by shape memory alloy composite actuators

Villanueva, A., Smith, C. & Priya, S., Sep 13 2011, In : Bioinspiration and Biomimetics. 6, 3, 036004.

Research output: Contribution to journalArticle

Biomimetics
Robotics
Shape memory effect
Actuators
Scyphozoa
137 Citations (Scopus)

A bio-oceanographic filter to larval dispersal in a reef-building coral

Baums, I. B., Paris, C. B. & Chérubin, L. M., Sep 2006, In : Limnology and Oceanography. 51, 5, p. 1969-1981 13 p.

Research output: Contribution to journalArticle

Dominican Republic
corals
reefs
coral
reef
36 Citations (Scopus)

A Biophysical Model of CRISPR/Cas9 Activity for Rational Design of Genome Editing and Gene Regulation

Farasat, I. & Salis, H. M., Jan 1 2016, In : PLoS computational biology. 12, 1, e1004724.

Research output: Contribution to journalArticle

Clustered Regularly Interspaced Short Palindromic Repeats
Gene Regulation
Guide RNA
Gene expression
Genome
18 Citations (Scopus)

A biota associated with matuyama-age sediments in west-central illinois

Miller, B. B., Graham, R. W., Morgan, A. V., Miller, N. G., McCoy, W. D., Palmer, D. F., Smith, A. J. & Pilny, J. J., Jan 1 1994, In : Quaternary Research. 41, 3, p. 350-365 16 p.

Research output: Contribution to journalArticle

biota
mammal
ostracod
mollusc
summer
24 Citations (Scopus)

Abiotic and biotic factors influencing the winter distribution of predatory insects

Thomas, M. B., Mitchell, H. J. & Wratten, S. D., Jan 1992, In : Oecologia. 89, 1, p. 78-84 7 p.

Research output: Contribution to journalArticle

predatory insects
biotic factor
overwintering
predator
insect
97 Citations (Scopus)

Abiotic formation of O2 and O3 in high-CO2 terrestrial atmospheres

Segura, A., Meadows, V. S., Kasting, J., Crisp, D. & Cohen, M., Sep 1 2007, In : Astronomy and Astrophysics. 472, 2, p. 665-679 15 p.

Research output: Contribution to journalArticle

planets
planet
atmospheres
atmosphere
hydrogen
8 Citations (Scopus)

Abiotic nitrate retention in agroecosystems and a forest soil

Fricks, B., Kaye, J. P. & Seidel, R., Jul 1 2009, In : Soil Science Society of America Journal. 73, 4, p. 1137-1141 5 p.

Research output: Contribution to journalArticle

agricultural ecosystem
agroecosystems
forest soils
forest soil
nitrates
75 Citations (Scopus)

Abiotic O2 levels on planets around F, G, K, and M stars: Possible false positives for life?

Harman, C. E., Schwieterman, E. W., Schottelkotte, J. C. & Kasting, J., Oct 20 2015, In : Astrophysical Journal. 812, 2, 137.

Research output: Contribution to journalArticle

G stars
F stars
K stars
M stars
planets
3 Citations (Scopus)

Abiotic O2 Levels on Planets around F, G, K, and M Stars: Effects of Lightning-produced Catalysts in Eliminating Oxygen False Positives

Harman, C. E., Felton, R., Hu, R., Domagal-Goldman, S. D., Segura, A., Tian, F. & Kasting, J., Oct 10 2018, In : Astrophysical Journal. 866, 1, 56.

Research output: Contribution to journalArticle

G stars
F stars
K stars
M stars
terrestrial planets
36 Citations (Scopus)
Cartilage
Articular Cartilage
Proteoglycans
Connective Tissue
Stress-strain curves
5 Citations (Scopus)

A bi-Poisson model for clustering gene expression profiles by RNA-seq

Wang, N., Wang, Y., Hao, H., Wang, L., Wang, Z., Wang, J. & Wu, R., Jan 1 2014, In : Briefings in Bioinformatics. 15, 4, p. 534-541 8 p., bbt029.

Research output: Contribution to journalArticle

RNA
Transcriptome
Gene expression
Cluster Analysis
Genes
9 Citations (Scopus)

A Bis(benzene)chromium-Bridged Cyclophosphazene: X-ray Structure Analysis of N3P3F4(n-C6H5)2Cr

Riding, G. H., Parvez, M. & Allcock, H. R., Jan 1 1986, In : Organometallics. 5, 10, p. 2153-2154 2 p.

Research output: Contribution to journalArticle

Chromium
Benzene
chromium
benzene
X ray diffraction
17 Citations (Scopus)

A bis-transannular metallocenyl cyclophosphazene. X-ray crystal structure of N4P4F4[(η-C5H 4)2Ru]2

Lavin, K. D., Riding, G. H., Parvez, M. & Allcock, H. R., Jan 1 1986, In : Journal of the Chemical Society, Chemical Communications. 2, p. 117-118 2 p.

Research output: Contribution to journalArticle

Crystal structure
X-Rays
X rays
20 Citations (Scopus)

A Bivalent Polyploid Model for Linkage Analysis in Outcrossing Tetraploids

Wu, R., Ma, C. X. & Casella, G., Sep 1 2002, In : Theoretical Population Biology. 62, 2, p. 129-151 23 p.

Research output: Contribution to journalArticle

outcrossing
polyploidy
tetraploidy
linkage (genetics)
chromosome
9 Citations (Scopus)

A Bivalent Polyploid Model for Mapping Quantitative Trait Loci in Outcrossing Tetraploids

Wu, R., Ma, C. X. & Casella, G., Jan 1 2004, In : Genetics. 166, 1, p. 581-595 15 p.

Research output: Contribution to journalArticle

Polyploidy
Tetraploidy
Quantitative Trait Loci
Chromosome Pairing
Biological Phenomena
13 Citations (Scopus)

A Bivariant Chern character for p-summable quasihomomorphisms

Nistor, V., May 1 1991, In : K-Theory. 5, 3, p. 193-211 19 p.

Research output: Contribution to journalArticle

Chern Character
K-homology

A bivariate variance components model for mapping iQTLs underlying endosperm traits

Li, G., Wu, C., Coelho, C., Wu, R., Larkins, B. A. & Cui, Y., Jan 1 2012, In : Frontiers in Bioscience - Elite. 4 E, 7, p. 2464-2475 12 p.

Research output: Contribution to journalArticle

Endosperm
Quantitative Trait Loci
Genomic Imprinting
Triploidy
Genetic Linkage
17 Citations (Scopus)

Ablation and optical third-order nonlinearities in Ag nanoparticles

Torres-Torres, C., Peréa-López, N., Reyes-Esqueda, J. A., Rodríguez-Fernández, L., Crespo-Sosa, A., Cheang-Wong, J. C. & Oliver, A., Dec 1 2010, In : International Journal of Nanomedicine. 5, 1, p. 925-932 8 p.

Research output: Contribution to journalArticle

Ablation
Nanoparticles
Lasers
Surface Plasmon Resonance
Surface plasmon resonance
57 Citations (Scopus)

Ablation of caterpillar labial salivary glands: Technique for determining the role of saliva in insect-plant interactions

Musser, R. O., Farmer, E., Peiffer, M., Williams, S. A. & Felton, G. W., May 1 2006, In : Journal of Chemical Ecology. 32, 5, p. 981-992 12 p.

Research output: Contribution to journalArticle

plant-insect interaction
plant-insect relations
Glucose Oxidase
saliva
Herbivory
15 Citations (Scopus)
Ablation
plasma jets
ablation
Heat flux
heat flux
6 Citations (Scopus)

Ablation of Perk in schwann cells improves myelination in the S63del charcot-marie-tooth 1B mouse

Sidoli, M., Musner, N., Silvestri, N., Ungaro, D., D’Antonio, M., Cavener, D. R., Laura Feltri, M. & Wrabetz, L., Nov 2 2016, In : Journal of Neuroscience. 36, 44, p. 11350-11361 12 p.

Research output: Contribution to journalArticle

Schwann Cells
Tooth
Unfolded Protein Response
Endoplasmic Reticulum Stress
Endoplasmic Reticulum
11 Citations (Scopus)

Ablative photodecomposition of polymers

Garrison, B. J., Jan 1 1985, In : Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films. 3, 3, p. 746-748 3 p.

Research output: Contribution to journalArticle

photodecomposition
Polymers
polymers
Etching
Melting