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The top documents tagged [basis sets]
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basis sets
Gaussian
159 views
Ls Dalton 2011 Manual
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06 Metode Ab Initio
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OrcaManual 2 8 0.Final
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Introduction to Computational Chemistry NSF Computational Nanotechnology and Molecular Engineering Pan-American Advanced Studies Institutes (PASI) Workshop.
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Magnetochimica AA 2012-2013 Marco Ruzzi Marina Brustolon 1. The coupling of Angular Momenta 2. EPR in a nutshell 3. The exchange spin Hamiltonian 4. The.
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Electronics Structure Theory- Prof, Julian Velev
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A theoretical study of the adsorption of oxalic acid on TiO2
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Casey P. Kelly, Christopher J. Cramer and Donald G. Truhlar- Accurate Partial Atomic Charges for High-Energy Molecules Using Class IV Charge Models with the MIDI! Basis Set
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Open Chemistry: Realizing Open Data, Open Standards, and Open Source
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Włocławek by Adrian
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Use of Ab Algorithmic
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