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[http://aliga.iciq.es/wiki/images/d/d9/Maseras_Besora_Review.pdf *link*] | [http://aliga.iciq.es/wiki/images/d/d9/Maseras_Besora_Review.pdf *link*] | ||
Besora, Maseras, WIREs Comp Mol Sci, 2018 | |||
This is a nice and complete review in Microkinetic Modeling. It contains from basic theory to examples of usage. | This is a nice and complete review in Microkinetic Modeling. It contains from basic theory to examples of usage. | ||
''- Hidden descriptors.'' ''Theory + Application'' | |||
[http://aliga.iciq.es/wiki/images/2/22/Manuscript.pdf *link*] | |||
Lakuntza, Besora, Maseras, Inorg Chem, 2018, in press | |||
Defining the hidden descriptors treatment. | |||
'''Core knowledge (from outside):''' | '''Core knowledge (from outside):''' | ||
''- Microkinetic Modeling from other groups'' ''Theory + Application'' | |||
[http://aliga.iciq.es/wiki/images/d/d3/Rush2014.pdf *link*] | |||
''- Double-hydrid functionals + dispersion corrections'' ''Theory'' | |||
[http://aliga.iciq.es/wiki/images/6/6f/Schwabe2007.pdf *link*] | |||
''- Accurate double-hydrid functionals '' ''Theory'' | |||
[http://aliga.iciq.es/wiki/images/5/54/Goddard2009.pdf *link*] | |||
''- The Curtin-Hammett Principle '' ''Theory'' | |||
[http://aliga.iciq.es/wiki/images/b/b3/Seeman1986.pdf *link*] | |||
''- Quest for a universal density functional '' ''Theoretical review'' | |||
[http://aliga.iciq.es/wiki/images/1/1b/Rsta.2012.0476.pdf *link*] | |||
''- Birth and future of Multiscale Modeling '' ''Theoretical review'' | |||
[http://aliga.iciq.es/wiki/images/0/0a/Levitt2014.pdf *link1*] | |||
'''Supplementary knowledge:''' | '''Supplementary knowledge:''' | ||
* [[Useful papers]] | * [[Useful papers]] | ||
Latest revision as of 11:42, 24 January 2019
Core knowledge (homegrown):
- Microkinetic Modeling Review. Theory + Application
Besora, Maseras, WIREs Comp Mol Sci, 2018
This is a nice and complete review in Microkinetic Modeling. It contains from basic theory to examples of usage.
- Hidden descriptors. Theory + Application
Lakuntza, Besora, Maseras, Inorg Chem, 2018, in press
Defining the hidden descriptors treatment.
Core knowledge (from outside):
- Microkinetic Modeling from other groups Theory + Application
- Double-hydrid functionals + dispersion corrections Theory
- Accurate double-hydrid functionals Theory
- The Curtin-Hammett Principle Theory
- Quest for a universal density functional Theoretical review
- Birth and future of Multiscale Modeling Theoretical review
Supplementary knowledge: