学位论文

1 Ab initio studies of equations of state and chemical reactions of reactive structural materials [学位论文]

作者:Zaharieva, Roussislava, Aerospace Engineering

论文开放时间:2011

关键词:Hydrogen storage;Chemical reactions;...

培养单位:University:Georgia Institute of Technology

摘要

2 Truth and tractability:compromising between accuracy and computational cost in quantum computational chemistry methods for noncovalent interactions and metal-salen catalysis [学位论文]

作者:Takatani, Tait, Chemistry and Biochemistry

论文开放时间:2010

关键词:Quantum chemistry;Ab initio;...

培养单位:University:Georgia Institute of Technology

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3 Electrical contact material arc erosion:experiments and modeling towards the design of an AgCdO substitute [学位论文]

作者:Pons, Frédéric, Mechanical Engineering

论文开放时间:2010

关键词:Ab initio;AgSnO₂;...

培养单位:University:Georgia Institute of Technology

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4 Thermal Neutron Scattering in Graphite [学位论文]

作者:Al-Qasir, Iyad Ibrahim;Prof. Marco B. Nardelli, Committee Member,Prof. Bernard W. Wehring, Committee Member,Prof. K. L. Murty, Committee Member,Prof. Ayman I. Hawari, Committee Chair,Al-Qasir, Iyad Ibrahim;Prof. Marco B. Nardelli;等

论文开放时间:2008

关键词:Anharmonicity;Coherent one-phonon;...

培养单位:University:North Carolina State University

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5 Computation of Molecular Properties at the Ab Initio Limit [学位论文]

作者:Temelso, Berhane, Chemistry and Biochemistry

论文开放时间:2007

关键词:High accuracy;Hydrogen abstraction;...

培养单位:University:Georgia Institute of Technology

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摘要