2009

Techniques for Consecutive TEM and Atom Probe Tomography Analysis of Nanowires, D. R. Diercks, B. P. Gorman, Chin Li Cheung, and G. Wang

Steel Hull Corrosion of USS Arizona with Applications to Submerged Resources, D. L. Johnson, D. J. Medlin, M. A. Russell, D. L. Conlin, L. E. Murphy, and J. D. Carr

Continuous and Smooth Potential Energy Surface for Conductorlike Screening Solvation Model Using Fixed Points with Variable Areas, Peifeng Su and Hui Li

Energy Decomposition Analysis of Covalent Bonds and Intermolecular Interactions, Peifeng Su and Hui Li

2008

Local Structures Surrounding Zr in Nanostructurally Stabilized Cubic Zirconia: Structural Origin of Phase Stability, Y. L. Soo, P. J. Chen, S. H. Huang, T. J. Shiu, T. Y. Tsai, Y. H. Chow, Y. C. Lin, S. C. Weng, S. L. Chang, G. Wang, Chin Li Cheung, R. F. Sabirianov, W. N. Mei, F. Namavar, H. Haider, K. L. Garvin, J. F. Lee, H. Y. Lee, and P. P. Chu

2007

Surface properties of LiCoO2, LiNiO2 and LiNi1-xCoxO2, Anthony W. Moses; Harry G. Garcia Flores,; Jong-Gyu Kim; and Marjorie Langell

Slow turning reveals enormous quadrupolar interactions (STREAQI), John Persons and Gerard S. Harbison

Supporting Information for "The Molecular Basis of High-Altitude Adaptation in Deer Mice", Jay F. Storz, Stephen J. Sabatino, Federico G. Hoffmann, Eben J. Gering, Hideaki Moriyama, Nuno Ferrand, Bruno Monteiro, and Michael W. Nachman

The Molecular Basis of High-Altitude Adaptation in Deer Mice, Jay F. Storz, Stephen J. Sabatino, Federico G. Hoffmann, Eben J. Gering, Hideaki Moriyama, Nuno Ferrand, Bruno Monteiro, and Michael W. Nachman

Tris(dialkylamino)aluminums: Syntheses, characterization, volatility comparison, and atomic layer deposition of alumina thin films, Casey R. Wade, Carter Silvernail, Chiranjib Banerjee, Axel Soulet, James McAndrew, and John A. Belot Jr.

Synthesis and Structural Characterization of Two Five Coordinate Aluminum Alkyl and Bis(Trimethylsilyl)Amino Complexes Bearing Acyclic Tetradentate Schiff Bases, C. R. Wade, B. J. Lamprecht, V. W. Day, and John A. Belot

Molecular dynamics of homogeneous nucleation in the vapor phase of Lennard-Jones. III. Effect of carrier gas pressure, Kenji Yasuoka and Xiao Cheng Zeng

2006

The Arabidopsis homolog of trithorax, ATX1, binds phosphatidylinositol 5-phosphate, and the two regulate a common set of target genes, Raul Alvarez-Venegas, Monther Sadder, Andrej Hlavacka, Frantisek Baluska, Yuannan Xia, Guoqing Lu, Alexey Firsov, Gautam Sarath, Hideaki Moriyama, Joseph G. Dubrovsky, and Zoya V. Avramova

Relative stability of planar versus double-ring tubular isomers of neutral and anionic boron cluster B20 and B20-, Wei An, Satya Bulusu, Yi Gao, and Xiao Cheng Zeng

Multiwalled ice helixes and ice nanotubes, Jaeil Bai, Jun Wang, and Xiao Cheng Zeng

Nonextensivity in magnetic nanoparticle ensembles , Christian Binek, Srinivas Polisetty, Xi He, Tathagata Mukherjee, Rajasekaran Rajesh, and Jody Redepenning

Evidence of hollow golden cages, Satya S. Bulusu, Xi Li, Lai-Sheng Wang, and Xiao Cheng Zeng

Evidence of hollow golden cages: Supplementary Materials and Supporting Information, Satya S. Bulusu, Xi Li, Lai-Sheng Wang, and Xiao Cheng Zeng

Structures and relative stability of neutral gold clusters: Aun (n=15–19), Satya Bulusu and Xiao Cheng Zeng

Homogeneous nucleation at high supersaturation and heterogeneous nucleation on microscopic wettable particles: A hybrid thermodynamic/density-functional theory, T.V. Bykov and Xiao Cheng Zeng

Protein Structure Similarity Clustering: Dynamic Treatment of PDB Structures Facilitates Clustering, Bradley D. Charette, Richard G. MacDonald, Stefan Wetzel, David B. Berkowitz, and Herbert Waldmann

Hybrid atomistic-coarse-grained treatment of multiscale processes in heterogeneous materials: A self-consistent-field approach, Dennis J. Diestler, H. Zhou, Ruqiang Feng, and Xiao Cheng Zeng

Kinetics of the DNA polymerase pyrococcus kodakaraensis, Mark A. Griep, Casey A. Kotera, R.M. Nelson, and H.J. Viljoen

Negative impact of noise on the principal component analysis of NMR data, Steven M. Halouska and Robert Powers

Single-crystal, polarized, Raman scattering study of the molecular and lattice vibrations for the energetic material cyclotrimethylene trinitramine, James C. Haycraft, Lewis L. Stevens, and Craig J. Eckhardt

The elastic constants and related properties of the energetic material cyclotrimethylene trinitramine (RDX) determined by Brillouin scattering, James J. Haycraft, Lewis L. Stevens, and Craig J. Eckhardt

A topology-constrained distance network algorithm for protein structure determination from NOESY data, Yuanpeng Janet Huang, Roberto Tejero, Robert Powers, and Gaetano T. Montelione

Global characterization of porcine intrauterine proteins during early pregnancy, Jean-Patrick R. Kayser, Jong G. Kim, Ronald Cerny, and Jeffrey L. Vallet

Distinct Ceramide Synthases Regulate Polarized Growth in the Filamentous Fungus Aspergillus nidulansD, Shaojie Li, Liangcheng Du, Gary Yuen, and Steven D. Harris

Supplemental Materials for "Distinct Ceramide Synthases Regulate Polarized Growth in the Filamentous Fungus Aspergillus nidulansD", Shaojie Li, Liangcheng Du, Gary Yuen, and Steven D. Harris

Acrosome reaction is subfamily specific in sea star fertilization, Mia Nakachi, Hideaki Moriyama, Motonori Hoshi, and Midori Matsumoto

Electronic structure and vibrational spectra of C2B10-based clusters and films, Kyungwha Park, M. R. Pederson, L. L. Boyer, Wai-Ning Mei, Renat F. Sabirianov, Xiao Cheng Zeng, Satya Silendra Bulusu, Seamus Curran, James Dewald, Ellen Day, Shireen Adenwalla, Manuel Diaz, Luis G. Rosa, S. Balaz, and Peter A. Dowben

Comparison of Protein Active Site Structures for Functional Annotation of Proteins and Drug Design, Robert Powers, Jennifer C. Copeland, Katherine Germer, Kelly A. Mercier, Viswanathan Ramanathan, and Peter Revesz

ELECTROLYTIC DEPOSITION OF COATINGS FOR PROSTHETIC METALS AND ALLOYS, J. Redepenning

“Reductive ozonolysis” via a new fragmentation of carbonyl oxides, Chris Schwartz, Joseph Raible, Kyle Mott, and Patrick Dussault

Rhodium-catalyzed asymmetric hydrogenation using self-assembled chiral bidentate ligands, James Takacs, Kittichai Chaiseeda, Shin A. Moteki, D. Sahadeva Reddy, Di Wu, and Kusumlata Chandra

Molecular simulations of solid-liquid interfacial tension of silicon, Yuk Wai Tang, Jun Wang, and Xiao Cheng Zeng

DNA Polymerase Chain Reaction: A Model of Error Frequencies and Extension Rates, Dr. Hedrik Viljoen, Dr. Mark Griep, Dr. Scott Whitney, and Dr. Michael Nelson

Changes in DNA bending and flexing due to tethered cations detected by fluorescence resonance energy transfer, Sarah L. Williams, Laura K. Parkhurst, and Lawrence J. Parkhurst

Adsorption of hydrogen molecules on the platinum-doped boron nitride nanotubes, Xiaojun Wu, J.L. Yang, and Xiao Cheng Zeng

Adsorption of transition-metal atoms on boron nitride nanotube: A density-functional study, Xiaojun Wu and Xiao Cheng Zeng

Structures and relative stability of medium-sized silicon clusters. V. Low-lying endohedral fullerenelike clusters Si31–Si40 and Si45, Soohaeng Yoo, N. Shao, C. Koehler, T. Fraunhaum, and Xiao Cheng Zeng

Structures and relative stability of medium-sized silicon clusters. IV. Motif based low-lying clusters Si21–Si30, Soohaeng Yoo and Xiao Cheng Zeng

Search for global-minimum geometries of medium-sized germanium clusters. II. Motif-based low-lying clusters Ge21–Ge29, S. Yoo and Xiao Cheng Zeng

2005

Stereoselective allylation of chiral monoperoxyacetals, Aqeel Ahmed and Patrick Dussault

Ab initio calculation of bowl, cage, and ring isomers of C20 and C20-, Wei An, Yi Gao, Satya Bulusu, and Xiao Cheng Zeng

Search for global minimum geometries for medium sized germanium clusters: Ge12–Ge20, S. Bulusu, S. Yoo, and Xiao Cheng Zeng

The anomalous "stiffness" of biphenydimethyldithiol, D.Q. Feng, Peter A. Dowben, R. Rajesh, and J. Redepenning

M4@Si28 (M=Al,Ga) Metal-encapsulated tetrahedral silicon fullerene, Yi Gao and Xiao Cheng Zeng

Large-scale molecular-dynamics simulation of nanoscale hydrophobic interaction and nanobubble formation, Takahiro Koishi, Kenji Yasuoka, Toshikazu Ebisuzaki, S. Yoo, and Xiao Cheng Zeng

Orientation of single crystals using linear approximations to NMR transits, Young-Sik Kye, Xingang Zhao, and Gerard S. Harbison

Deconvolution of the Co3O4(110) Fuchs–Kliewer phonon spectrum, E.M. Marsh, S.C. Petitto, G.S. Harbison, K.W. Wulser, and Marjorie Langell

Determining the optimal size of small molecule mixtures for high throughput NMR screening, Kelly A. Mercier and Robert Powers

Cooperative effects in two-dimensional ring-like networks of three-center hydrogen bonding interactions, Ruben D. Parra, Satya Bulusu, and Xiao Cheng Zeng

Solution structure of Archaeglobus fulgidis peptidyl-tRNA hydrolase (Pth2) provides evidence for an extensive conserved family of Pth2 enzymes in archea, bacteria, and eukaryotes, Robert Powers, Nebojsa Mirkovic, Sharon Goldsmith-Fischman, Thomas B. Acton, Yi-wen Chiang, Yuanpeng J. Huang, LiChung Ma, P. K. Rajan, John R. Cort, Michael A. Kennedy, Jinfeng Liu, Burkhard Rost, Barry Honig, Diana Murray, and Gaetano T. Montelione

Using Databases and Computational Techniques to Infer the Function of Novel Proteins, Viswanathan Ramanathan, Kelly A. Mercier, Robert Powers, and Peter Revesz

Dissociative electron attachment to uracil deuterated at the N1 and N3 positions, A. M. Scheer, C. Silvernail, John A. Belot Jr., Gordon A. Gallup, and Paul Burrow

Biologically Active Fluorescent Farnesol Analogs, Roman Shchepin, Razvan Dumitru, Kenneth Nickerson, Miranda Lund, and Patrick Dussault

The elastic constants and related properties of β-HMX determined by Brillouin scattering, Lewis L. Stevens and Craig J. Eckhardt

A macroscopic kinetic model for DNA polymerase elongation and high-fidelity nucleotide election, Steve Viljoen, Mark A. Griep, Michael Nelson, and Hendrik J. Viljoen

Melting temperature of ice Ih calculated from coexisting solid-liquid phases, J. Wang, S. Yoo, Jaeil Bai, James R. Morris, and Xiao Cheng Zeng

Structures and stability of medium-sized silicon clusters. III. Reexamination of motif transition in growth pattern from Si15 to Si20, Soohaeng Yoo and Xiao Cheng Zeng

Chlorella Virus-Encoded Deoxyuridine Triphosphatases Exhibit Different Temperature Optima, Yuanzheng Zhang, Hideaki Moriyama, Kohei Homma, and James L. Van Etten

Coarse-grained free-energy-functional treatment of quasistatic multiscale processes in heterogeneous materials, H. Zhou, Ruqiang Feng, Dennis J. Diestler, and Xiao Cheng Zeng

2004

In situ enzymatic screening (ISES) of P,N-ligands for Ni(0)- mediated asymmetric intramolecular allylic amination, David B. Berkowitz, Weijun Shen, and Gourhari Maiti

Orientation and bonding of biphenyldimethyldithiol, A. N. Caruso, R. Rajesh, G. Gallup, J. Redepenning, and Peter A. Dowben

Magnesium/Methanol: An Effective Reducing Agent for Peroxides , Peng Dai, Patrick Dussault, and Tony K. Trullinger

An extension of the quasicontinuum treatment of multiscale solid systems to nonzero temperature, Dennis J. Diestler, Z.-B. Wu, and Xiao Cheng Zeng

Curtius rearrangement and Wolff homologation of functionalized peroxides, Patrick Dussault and Chunping Xu

Nanoscale Hydrophobic Interaction and Nanobubble Nucleation, T. Koishi, S. Yoo, K. Yasuoka, Xiao Cheng Zeng, T. Narumi, R. Susukita, A. Kawai, H. Furusawa, A. Suenaga, N. Okimoto, N. Futatsugi, and T. Ebisuzaki

Melting points and thermal expansivities of proton-disordered hexagonal ice with several model potentials, Yuji Koyama, Hideki Tanaka, Guangtu Gao, and Xiao Cheng Zeng

Surface composition and structure of Co3O4(110) and the effect of impurity segregation, S.C. Petitto and Marjorie Langell

1H, 13C, and 15N assignments for the Archaeglobus fulgidis protein AF2095, Robert Powers, Thomas B. Acton, Yi-wen Chiang, P. K. Rajan, John R. Cort, Michael A. Kennedy, Jinfeng Liu, LiChung Ma, Burkhard Rost, and Gaetano T. Montelione

Optimization of Conditions for Studies of Protein Unfolding by Hydrogen Exchange/Mass Spectrometry, A.S. Raza and David L. Smith

Hybrid atomistic-coarse-grained treatment of thin-film lubrication. I, Z.-B. Wu, Dennis J. Diestler, Ruqiang Feng, and Xiao Cheng Zeng

Hybrid atomistic-coarse-grained treatment of thin-film lubrication. II, Z.-B. Wu, Dennis J. Diestler, and Xiao Cheng Zeng

In situ magnetoresistance of Ni nanocontacts, C-S Yang, Chunjuan Zhang, J. Redepenning, and Bernard Doudin

Evidence that hsp90 Is Involved in the Altered Interactions of Acanthamoeba castellanii Variants with Bacteria, Ling Yan, Ronald Cerny, and Jeffrey D. Cirillo

The melting lines of model silicon calculated from coexisting solid–liquid phases, S. Yoo, Xiao Cheng Zeng, and James R. Morris

Structures and stability of medium silicon clusters. II. Ab initio molecular orbital calculations of Si12–Si20, X.-L. Zhu, Xiao Cheng Zeng, Y.A. Lei, and B. Pan

2003

Ab initio studies of quasi-one-dimensional pentagon and hexagon ice nanotubes, Jaeil Bai, C.-R. Su, R.D. Parra, Xiao Cheng Zeng, H. Tanaka, K. Koga, and J.-M. Li

Targeting Methanopterin Biosynthesis To Inhibit Methanogenesis, Razvan Dumitru, Hector Palencia, Scott D. Schroeder, Bree A. DeMontigny, James M. Takacs, Madeline E. Rasche, Jess L. Miner, and Stephen W. Ragsdale

Manufacturing of Novel Continuous Nanocrystalline Ceramic Nanofibers with Superior Mechanical Properties, Youris A. Dzenis, Ruqiang Feng, Gustavo Larsen, Joseph Turner, and Xiao Zeng

Cooperative effects in one-dimensional chains of three-center hydrogen bonding interactions, Ruben D. Parra, Satya Bulusu, and Xiao Cheng Zeng

Electrochemical preparation of chitosan/hydroxyapatite composite coatings on titanium substrates, J. Redepenning, Guhanand Venkataraman, Jun Chen, and Nathan Stafford

Resonant tunneling in magnetoresistive Ni/NiO/Co nanowire junctions, A. Sokolov, Ildar F. Sabiryanov, Evgeny Y. Tsymbal, Bernard Doudin, X. Z. Li, and J. Redepenning

Bulk and interfacial properties of a dipolar-quadrupolar fluid in a uniform electric field: A density-functional approach, V.B. Warshavsky and Xiao Cheng Zeng

Effect of external electric field on the bulk and interfacial properties of weakly dipolar fluid in slab-shaped and sphere-shaped systems, V.B. Warshavsky and Xiao Cheng Zeng

Coarse-graining description of solid systems at nonzero temperature, Z.-B. Wu, Dennis J. Diestler, Ruqiang Feng, and Xiao Cheng Zeng

Effect of polarizability of halide anions on the ionic salvation in water clusters, S. Yoo, Y.A. Lei, and Xiao Cheng Zeng

Global geometry optimization of silicon clusters described by three empirical potentials, S. Yoo and Xiao Cheng Zeng

Structures and stabilities of small silicon clusters: Ab initio molecular-orbital calculations of Si7–Si11, Xiaolei Zhu and Xiao Cheng Zeng

2002

Heterogeneous nucleation on mesoscopic wettable particles: A hybrid thermodynamic/density-functional theory, T.V. Bykov and Xiao Cheng Zeng

A model for mechanochemical transformations: Applications to molecular hardness, instabilities, and shock initiation of reaction, Tadeusz Luty, Piotr Ordon, and Craig J. Eckhardt

Applications of NMR to structure-based drug design in structural genomics, Robert Powers

Bulk and interfacial properties of quadrupolar fluids, V.B. Warshavsky and Xiao Cheng Zeng

Effect of an Electric Field on the Surface Tension of a Dipolar-Quadrupolar Fluid and Its Implication for Sign Preference in Droplet Nucleation , V.B. Warshavsky and Xiao Cheng Zeng

Monte Carlo simulation of vapor–liquid binodal of water, S. Yoo and Xiao Cheng Zeng

2001

Quorum Sensing in the Dimorphic Fungus Candida albicans Is Mediated by Farnesol, Jacob M. Hornby, Ellen C. Jensen, Amber C. Lisec, Joseph J. Tasto, Brandon Jahnke, Richard Shoemaker, Patrick Dussault, and Kenneth Nickerson

Molecular dynamics simulation of supersaturated vapor nucleation in slit pore. II. Thermostatted atomic-wall model, K.T. Kholmurodov, K. Yasuoka, and Xiao Cheng Zeng