Template:Cite: Difference between revisions
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bib=L. Chaput, A. Togo, and I. Tanaka, ''Finite-displacement computation of the electron-phonon interaction within the projector augmented-wave method'', Phys. Rev. B '''100''', 174304 (2019).| | bib=L. Chaput, A. Togo, and I. Tanaka, ''Finite-displacement computation of the electron-phonon interaction within the projector augmented-wave method'', Phys. Rev. B '''100''', 174304 (2019).| | ||
link=https://doi.org/10.1103/PhysRevB.100.174304 | link=https://doi.org/10.1103/PhysRevB.100.174304 | ||
}}{{ | |||
Reference|key=roussel:2023|show={{{1}}}| | |||
bib=M. Roussel, ''Foundations of Chemical Kinetics, Chapter 7 - Transition-state theory'', (2023), p. 195-249.| | |||
link=https://doi.org/10.1088/978-0-7503-5321-2 | |||
}}{{ | |||
Reference|key=truhlar:csr:2017|show={{{1}}}| | |||
bib=J. Bao and D. Truhlar, ''Variational transition state theory: theoretical framework and recent developments'', Chem. Soc. Rev. '''46''', 7548 (2017).| | |||
link=https://doi.org/10.1039/C7CS00602K | |||
}}{{ | |||
Reference|key=truhlar:jpc:1996|show={{{1}}}| | |||
bib=D. Truhlar, B. Garrett, and S. Klippenstein, ''Current Status of Transition-State Theory'', J. Phys. Chem. '''100''', 12771 (1996).| | |||
link=https://doi.org/10.1039/C7CS00602K | |||
}}{{ | |||
Reference|key=henkelman:jcp:2012|show={{{1}}}| | |||
bib=D. Sheppard, P. Xiao, W. Chemelweski, D. Johnson, G. Henkelman, ''A generalized solid-state nudged elastic band method'', J. Chem. Phys. '''136''', 074103 (2012).| | |||
link=https://doi.org/10.1063/1.3684549 | |||
}}{{ | |||
Reference|key=mcquarrie:2000|show={{{1}}}| | |||
bib=D. McQuarrie, ''Statistical Mechanics'', (2000)| | |||
link=https://uscibooks.aip.org/books/statistical-mechanics/ | |||
}}{{ | |||
Reference|key=klein:2006|show={{{1}}}| | |||
bib=B. Ensing, M. De Vivo, Z. Liu, P. Moore, M. Klein, ''Metadynamics as a Tool for Exploring Free Energy Landscapes of Chemical Reactions'', Acc. Chem. Res. '''39''', 73 (2006)| | |||
link=https://doi.org/10.1021/ar040198i | |||
}}{{ | |||
Reference|key=tiwary:parrinello:2006|show={{{1}}}| | |||
bib=P. Tiwary, M. Parrinello, ''From Metadynamics to Dynamics'', Phys. Rev. Lett. '''111''', 230602 (2013)| | |||
link=https://doi.org/10.1103/PhysRevLett.111.230602 | |||
}} | }} |
Latest revision as of 16:37, 29 October 2024
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