Template:Cite: Difference between revisions
No edit summary |
No edit summary |
||
| Line 1,204: | Line 1,204: | ||
Reference|key=mills:surf-sci:1995|show={{{1}}}| | Reference|key=mills:surf-sci:1995|show={{{1}}}| | ||
bib=G. Mills, H. Jonsson and G. K. Schenter, ''Reversible work transition state theory: application to dissociative adsorption of hydrogen'', Surf. Sci., '''324''', 305 (1995).| | bib=G. Mills, H. Jonsson and G. K. Schenter, ''Reversible work transition state theory: application to dissociative adsorption of hydrogen'', Surf. Sci., '''324''', 305 (1995).| | ||
link=http:// | link=http://doi.org/10.1016/0039-6028(94)00731-4 | ||
}}{{ | }}{{ | ||
Reference|key=jonsson:book:1998|show={{{1}}}| | Reference|key=jonsson:book:1998|show={{{1}}}| | ||
| Line 1,216: | Line 1,216: | ||
Reference|key=sander:jcp:2017|show={{{1}}}| | Reference|key=sander:jcp:2017|show={{{1}}}| | ||
bib=T. Sander, G. Kresse, ''Macroscopic dielectric function within time-dependent density functional theory—Real time evolution versus the Casida approach'' , J. Chem. Phys. ''146'', 064110 (2017)| | bib=T. Sander, G. Kresse, ''Macroscopic dielectric function within time-dependent density functional theory—Real time evolution versus the Casida approach'' , J. Chem. Phys. ''146'', 064110 (2017)| | ||
link=http:// | link=http://doi.org/10.1063/1.4975193 | ||
}}{{ | }}{{ | ||
Reference|key=sangalli:prb:2017|show={{{1}}}| | Reference|key=sangalli:prb:2017|show={{{1}}}| | ||
| Line 1,224: | Line 1,224: | ||
Reference|key=hratchian:jpc:2002|show={{{1}}}| | Reference|key=hratchian:jpc:2002|show={{{1}}}| | ||
bib=H. P. Hratchian and H. B. Schlegel, ''Following Reaction Pathways Using a Damped Classical Trajectory Algorithm'', J. Phys. Chem. A '''106''', 165 (2002).| | bib=H. P. Hratchian and H. B. Schlegel, ''Following Reaction Pathways Using a Damped Classical Trajectory Algorithm'', J. Phys. Chem. A '''106''', 165 (2002).| | ||
link=https:// | link=https://doi.org/10.1021/jp012125b | ||
}}{{ | }}{{ | ||
Reference|key=henkelman:jpc:1999|show={{{1}}}| | Reference|key=henkelman:jpc:1999|show={{{1}}}| | ||
bib=G. Henkelman and H. Jónsson, ''A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives'', J. Chem. Phys. '''111''', 7010–7022 (1999).| | bib=G. Henkelman and H. Jónsson, ''A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives'', J. Chem. Phys. '''111''', 7010–7022 (1999).| | ||
link= | link=https://doi.org/10.1063/1.480097 | ||
}}{{ | }}{{ | ||
Reference|key=heyden:jpc:2005|show={{{1}}}| | Reference|key=heyden:jpc:2005|show={{{1}}}| | ||
bib=A. Heyden, A. T. Bell, and F. J. Keil, ''Efficient methods for finding transition states in chemical reactions: Comparison of improved dimer method and partitioned rational function optimization method'', J. Chem. Phys. '''123''', 224101 (2005).| | bib=A. Heyden, A. T. Bell, and F. J. Keil, ''Efficient methods for finding transition states in chemical reactions: Comparison of improved dimer method and partitioned rational function optimization method'', J. Chem. Phys. '''123''', 224101 (2005).| | ||
link= | link=https://doi.org/10.1063/1.2104507 | ||
}}{{ | }}{{ | ||
Reference|key=mueller-plathe:jcp:1997|show={{{1}}}| | Reference|key=mueller-plathe:jcp:1997|show={{{1}}}| | ||
| Line 1,240: | Line 1,240: | ||
Reference|key=csanyi:npj:2022|show={{{1}}}| | Reference|key=csanyi:npj:2022|show={{{1}}}| | ||
bib=J. P. Darby, J. R. Kermode, and G. Csanyi, ''Compressing local atomic neighbourhood descriptors'', New Phys. J. '''8''', 166 (2022).| | bib=J. P. Darby, J. R. Kermode, and G. Csanyi, ''Compressing local atomic neighbourhood descriptors'', New Phys. J. '''8''', 166 (2022).| | ||
link=https:// | link=https://doi.org/10.1038/s41524-022-00847-y | ||
}} | }} | ||