Phase dependent structural and electronic properties of lanthanum orthophosphate (LaPO4)
Neupane, M R, Garrett, G A, Rudin, S, Andzelm, J W
Published in Journal of physics. Condensed matter (25.05.2016)
Published in Journal of physics. Condensed matter (25.05.2016)
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Journal Article
Theoretical Study of Hydrogen Adsorption and Diffusion on TiN(100) Surface
Siodmiak, M., Govind, N., Andzelm, J., Tanpipat, N., Frenking, G., Korkin, A.
Published in Physica status solidi. B. Basic research (01.07.2001)
Published in Physica status solidi. B. Basic research (01.07.2001)
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Journal Article
Conference Proceeding
A local density functional study of the structure and vibrational frequencies of molecular transition-metal compounds
Sosa, Carlos, Andzelm, Jan, Elkin, Brad C, Wimmer, Erich, Dobbs, Kerwin D, Dixon, David A
Published in Journal of physical chemistry (1952) (01.08.1992)
Published in Journal of physical chemistry (1952) (01.08.1992)
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Journal Article
A generalized synchronous transit method for transition state location
Govind, Niranjan, Petersen, Max, Fitzgerald, George, King-Smith, Dominic, Andzelm, Jan
Published in Computational materials science (01.10.2003)
Published in Computational materials science (01.10.2003)
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Journal Article
Atomistic Simulations with Carbon Nanotubes - Classical, Quantum, and Transport Modeling
Maiti, A., Andzelm, J., Svizhenko, A., Anantram, M.P., in het Panhuis, M.
Published in Physica Status Solidi (b) (Germany) (01.09.2002)
Published in Physica Status Solidi (b) (Germany) (01.09.2002)
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Journal Article
Conference Proceeding
Geometry optimization of solids using delocalized internal coordinates
Andzelm, Jan, King-Smith, R.D., Fitzgerald, George
Published in Chemical physics letters (23.02.2001)
Published in Chemical physics letters (23.02.2001)
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Journal Article
Surface Orientation of Polystyrene Based Polymers: Steric Effects from Pendant Groups on the Phenyl Ring
Lenhart, Joseph L, Fischer, Daniel A, Chantawansri, Tanya L, Andzelm, Jan W
Published in Langmuir (06.11.2012)
Published in Langmuir (06.11.2012)
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Journal Article
Use of 3-aminopropyltriethoxysilane deposited from aqueous solution for surface modification of III-V materials
Knorr Jr, Daniel B., Williams, Kristen S., Baril, Neil F., Weiland, Conan, Andzelm, Jan W., Lenhart, Joseph L., Woicik, Joseph C., Fischer, Daniel A., Tidrow, Meimei Z., Bandara, Sumith V., Henry, Nathan C.
Published in Applied surface science (30.11.2014)
Published in Applied surface science (30.11.2014)
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Journal Article
Heterogeneous catalysis: looking forward with molecular simulation
Andzelm, J.W., Alvarado-Swaisgood, A.E., Axe, F.U., Doyle, M.W., Fitzgerald, G., Freeman, C.M., Gorman, A.M., Hill, J.-R., Kölmel, C.M., Levine, S.M., Saxe, P.W., Stark, K., Subramanian, L., van Daelen, M.A., Wimmer, E., Newsam, J.M.
Published in Catalysis today (12.05.1999)
Published in Catalysis today (12.05.1999)
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Journal Article
Phase behavior of SEBS triblock copolymer gels
Chantawansri, Tanya L., Duncan, Andrew J., Ilavsky, Jan, Stokes, Kristoffer K., Berg, Michael C., Mrozek, Randy A., Lenhart, Joseph L., Beyer, Frederick L., Andzelm, Jan W.
Published in Journal of polymer science. Part B, Polymer physics (15.10.2011)
Published in Journal of polymer science. Part B, Polymer physics (15.10.2011)
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Journal Article