\backcite {Cotton1964}{{1}{1}{chapter.1}} \backcite {Haberland2013}{{1}{1}{chapter.1}} \backcite {Schmid1988}{{1}{1}{chapter.1}} \backcite {Hakkinen2002}{{1}{1}{chapter.1}} \backcite {Dahl1963}{{1}{1}{chapter.1}} \backcite {Fucugauchi1994}{{1}{1}{chapter.1}} \backcite {Sutton2016}{{1}{1}{chapter.1}} \backcite {Schnepf2002}{{1}{1}{chapter.1}} \backcite {Fassler2004}{{1}{1}{chapter.1}} \backcite {Stegmaier2011}{{1}{1}{chapter.1}} \backcite {Farges1981}{{1}{1}{chapter.1}} \backcite {Kroto1991c60}{{1}{1}{chapter.1}} \backcite {Blase2008}{{1}{1}{chapter.1}} \backcite {Siedschlag2004}{{1}{1}{chapter.1}} \backcite {Rapacioli2005stacked}{{1}{1}{chapter.1}} \backcite {Zhen2018}{{1}{1}{chapter.1}} \backcite {Schmid1988}{{2}{1}{chapter.1}} \backcite {Dahl1963}{{2}{1}{chapter.1}} \backcite {Dyson2000}{{2}{1}{chapter.1}} \backcite {Dyson2000}{{2}{1}{chapter.1}} \backcite {Colton1965}{{2}{1}{chapter.1}} \backcite {Fucugauchi1994}{{2}{1}{chapter.1}} \backcite {Yoon2020}{{2}{1}{chapter.1}} \backcite {Sutton2016}{{2}{1}{chapter.1}} \backcite {Schnepf2002}{{2}{1}{chapter.1}} \backcite {Fassler2004}{{2}{1}{chapter.1}} \backcite {Stegmaier2011}{{2}{1}{chapter.1}} \backcite {Kroto1991c60}{{2}{1}{chapter.1}} \backcite {Farges1981}{{2}{1}{chapter.1}} \backcite {Siedschlag2004}{{2}{1}{chapter.1}} \backcite {Berden1996}{{2}{1}{chapter.1}} \backcite {Buck2000}{{2}{1}{chapter.1}} \backcite {Rapacioli2005stacked}{{2}{1}{chapter.1}} \backcite {Zhen2018}{{2}{1}{chapter.1}} \backcite {Harris1984}{{2}{1}{chapter.1}} \backcite {Kroto1991c60}{{2}{1}{chapter.1}} \backcite {Hakkinen2002}{{2}{1}{chapter.1}} \backcite {Ayuela1993}{{3}{1}{chapter.1}} \backcite {Calvo2018}{{3}{1}{chapter.1}} \backcite {Alonso2000}{{3}{1}{chapter.1}} \backcite {Margenau2013}{{3}{1}{chapter.1}} \backcite {Kimura1991}{{3}{1}{chapter.1}} \backcite {Jortner1992}{{3}{1}{chapter.1}} \backcite {Hakkinen2002}{{3}{1}{chapter.1}} \backcite {Boulon2014}{{3}{1}{chapter.1}} \backcite {Faraday1857}{{3}{1}{figure.caption.3}} \backcite {Schmidt2012}{{4}{1.1}{figure.caption.3}} \backcite {Hock2009}{{4}{1.1}{figure.caption.3}} \backcite {Boulon2014}{{4}{1.1}{figure.caption.3}} \backcite {Zhen2018}{{4}{1}{figure.caption.3}} \backcite {Kulmala2000}{{4}{1}{figure.caption.3}} \backcite {Wang2008}{{4}{1}{figure.caption.3}} \backcite {Depalma2014}{{4}{1}{figure.caption.3}} \backcite {Katakuse1985}{{4}{1}{figure.caption.3}} \backcite {Posthumus2009}{{4}{1}{figure.caption.3}} \backcite {Castleman2009}{{4}{1}{figure.caption.3}} \backcite {Henglein1989}{{4}{1}{figure.caption.3}} \backcite {Jortner1992}{{4}{1}{figure.caption.3}} \backcite {Korobeishchikov2005}{{4}{1}{figure.caption.3}} \backcite {Xu2020}{{4}{1}{figure.caption.3}} \backcite {Tian2018}{{4}{1}{figure.caption.3}} \backcite {Deng2018}{{4}{1}{figure.caption.3}} \backcite {Rapacioli2019}{{4}{1}{figure.caption.3}} \backcite {Castleman1978}{{4}{1}{figure.caption.3}} \backcite {Castleman1978the}{{4}{1}{figure.caption.3}} \backcite {Zhong2000}{{4}{1}{figure.caption.3}} \backcite {Pinkard2018}{{4}{1}{figure.caption.3}} \backcite {Asuka2013}{{4}{1}{figure.caption.3}} \backcite {Luo2016}{{4}{1}{figure.caption.3}} \backcite {Wang2016}{{4}{1}{figure.caption.3}} \backcite {Jiang2019}{{4}{1}{figure.caption.3}} \backcite {Meot1984}{{4}{1}{figure.caption.3}} \backcite {Castleman1994}{{4}{1}{figure.caption.3}} \backcite {Castleman1996}{{4}{1}{figure.caption.3}} \backcite {Farrar1988}{{4}{1}{figure.caption.3}} \backcite {Mayer2002}{{4}{1}{figure.caption.3}} \backcite {Wales1997}{{5}{1}{figure.caption.3}} \backcite {Wales1998}{{5}{1}{figure.caption.3}} \backcite {Wales1999}{{5}{1}{figure.caption.3}} \backcite {James2005}{{5}{1}{figure.caption.3}} \backcite {Boulon2014}{{5}{1}{figure.caption.3}} \backcite {Korchagina2017}{{5}{1}{figure.caption.3}} \backcite {Hada2003}{{5}{1}{figure.caption.3}} \backcite {Chakraborty2020}{{5}{1}{figure.caption.3}} \backcite {Zamith2020threshold}{{5}{1}{figure.caption.3}} \backcite {Zheng2021}{{5}{1}{figure.caption.3}} \backcite {Tibshirani2005}{{5}{1}{figure.caption.3}} \backcite {Woutersen1997}{{5}{1}{figure.caption.3}} \backcite {Ruan2004}{{5}{1}{figure.caption.3}} \backcite {Brubach2005}{{5}{1}{figure.caption.3}} \backcite {Bergmann2007}{{5}{1}{figure.caption.3}} \backcite {Pokapanich2009}{{5}{1}{figure.caption.3}} \backcite {Sun2010}{{5}{1}{figure.caption.3}} \backcite {Harada2017}{{5}{1}{figure.caption.3}} \backcite {Yamazoe2019}{{5}{1}{figure.caption.3}} \backcite {Silvestrelli1999}{{5}{1}{figure.caption.3}} \backcite {Laage2006}{{5}{1}{figure.caption.3}} \backcite {Bryantsev2009}{{5}{1}{figure.caption.3}} \backcite {Silvestrelli2017}{{5}{1}{figure.caption.3}} \backcite {Bernal1933}{{5}{1}{figure.caption.3}} \backcite {Shields2010}{{5}{1}{figure.caption.3}} \backcite {Gregory1996}{{5}{1}{figure.caption.3}} \backcite {Kunst1980}{{6}{1}{figure.caption.3}} \backcite {Torrent2011}{{6}{1}{figure.caption.3}} \backcite {Wang2010}{{6}{1}{figure.caption.3}} \backcite {Bigg1975}{{6}{1}{figure.caption.3}} \backcite {Vaida2000}{{6}{1}{figure.caption.3}} \backcite {Aloisio2000}{{6}{1}{figure.caption.3}} \backcite {Ramanathan2001}{{6}{1}{figure.caption.3}} \backcite {Mccurdy2002}{{6}{1}{figure.caption.3}} \backcite {Hartt2008}{{6}{1}{figure.caption.3}} \backcite {Vaida2011}{{6}{1}{figure.caption.3}} \backcite {Kjaergaard2003}{{6}{1}{figure.caption.3}} \backcite {Vaida2003}{{6}{1}{figure.caption.3}} \backcite {Klan2001}{{6}{1}{figure.caption.3}} \backcite {Amiaud2007}{{6}{1}{figure.caption.3}} \backcite {Kahan2010}{{6}{1}{figure.caption.3}} \backcite {Minissale2019}{{6}{1}{figure.caption.3}} \backcite {Perez2012}{{6}{1}{figure.caption.3}} \backcite {Huneycutt2003}{{7}{1}{figure.caption.3}} \backcite {Caleman2007}{{7}{1}{figure.caption.3}} \backcite {Berden1996}{{7}{1}{figure.caption.3}} \backcite {Rozenberg2009}{{7}{1}{figure.caption.3}} \backcite {Korchagina2016}{{7}{1}{figure.caption.3}} \backcite {Korchagina2016}{{7}{1}{figure.caption.3}} \backcite {Depalma2014}{{7}{1}{figure.caption.3}} \backcite {Braud2019}{{7}{1}{figure.caption.3}} \backcite {Ryding2011}{{7}{1}{figure.caption.3}} \backcite {Koop1996}{{7}{1}{figure.caption.3}} \backcite {Carslaw1997}{{7}{1}{figure.caption.3}} \backcite {Arnold1977}{{7}{1}{figure.caption.3}} \backcite {Arnold1982}{{7}{1}{figure.caption.3}} \backcite {Korchagina2016}{{7}{1}{figure.caption.3}} \backcite {Berden1996}{{7}{1}{figure.caption.3}} \backcite {Payzant1973}{{7}{1}{figure.caption.3}} \backcite {Kulmala1995}{{7}{1}{figure.caption.3}} \backcite {Kirkby2011}{{7}{1}{figure.caption.3}} \backcite {Dunne2016}{{7}{1}{figure.caption.3}} \backcite {Leger1984}{{8}{1}{figure.caption.4}} \backcite {Allamandola1985}{{8}{1}{figure.caption.4}} \backcite {Leger1984}{{8}{1}{figure.caption.4}} \backcite {Puget1989}{{8}{1}{figure.caption.4}} \backcite {Tielens2008}{{8}{1}{figure.caption.4}} \backcite {Tielens2008}{{8}{1}{figure.caption.4}} \backcite {Tielens2005}{{8}{1}{figure.caption.4}} \backcite {Rapacioli2006}{{8}{1}{figure.caption.4}} \backcite {Montillaud2014}{{8}{1}{figure.caption.4}} \backcite {Rapacioli2009}{{8}{1}{figure.caption.4}} \backcite {Joblin2017}{{8}{1}{figure.caption.4}} \backcite {Rapacioli2009}{{8}{1}{figure.caption.4}} \backcite {Finlayson1986}{{8}{1}{figure.caption.4}} \backcite {Callen2008}{{9}{1}{figure.caption.4}} \backcite {Eaves2015}{{9}{1}{figure.caption.4}} \backcite {Violi2007}{{9}{1}{figure.caption.4}} \backcite {Scholz2013}{{9}{1}{figure.caption.4}} \backcite {Darghouth2015}{{9}{1}{figure.caption.4}} \backcite {Zhen2018}{{9}{1}{figure.caption.4}} \backcite {Zamith2020threshold}{{9}{1}{figure.caption.4}} \backcite {Rapacioli2006}{{9}{1}{figure.caption.4}} \backcite {Holm2010}{{9}{1}{figure.caption.4}} \backcite {Simon2017formation}{{9}{1}{figure.caption.4}} \backcite {Chen2018}{{9}{1}{figure.caption.4}} \backcite {Joblin2017}{{9}{1}{figure.caption.4}} \backcite {Holm2010}{{9}{1}{figure.caption.4}} \backcite {Schmidt2006}{{9}{1}{figure.caption.4}} \backcite {Gatchell2015}{{9}{1}{figure.caption.4}} \backcite {Gatchell2017}{{9}{1}{figure.caption.4}} \backcite {Zamith2019thermal}{{9}{1}{figure.caption.4}} \backcite {Dawson1982}{{9}{1}{figure.caption.4}} \backcite {Graul1989}{{9}{1}{figure.caption.4}} \backcite {Wei1991}{{9}{1}{figure.caption.4}} \backcite {Liu2006}{{9}{1}{figure.caption.4}} \backcite {Goebbert2006}{{9}{1}{figure.caption.4}} \backcite {Coates2018}{{9}{1}{figure.caption.4}} \backcite {Nelson1994}{{9}{1}{figure.caption.4}} \backcite {Molina2015}{{9}{1}{figure.caption.4}} \backcite {Carl2007}{{9}{1}{figure.caption.4}} \backcite {Liu2006}{{9}{1}{figure.caption.4}} \backcite {Nguyen2011}{{9}{1}{figure.caption.4}} \backcite {Shuck2014}{{9}{1}{figure.caption.4}} \backcite {Castrovilli2017}{{9}{1}{figure.caption.4}} \backcite {Bera2018}{{9}{1}{figure.caption.4}} \backcite {Klippenstein1992}{{9}{1}{figure.caption.4}} \backcite {Baer1996}{{9}{1}{figure.caption.4}} \backcite {Metropolis1949}{{9}{1}{figure.caption.4}} \backcite {Voter2007}{{9}{1}{figure.caption.4}} \backcite {Brown2009}{{13}{2}{chapter.2}} \backcite {MCTDH}{{14}{2}{figure.caption.5}} \backcite {Griffiths2018}{{15}{2.1}{section.2.1}} \backcite {Born1927}{{17}{2.2}{section.2.2}} \backcite {Born1927}{{18}{2.2}{equation.2.2.9}} \backcite {Epstein1966}{{18}{2.2}{equation.2.2.11}} \backcite {Butler1998}{{18}{2.2}{equation.2.2.11}} \backcite {Puzzarini2010}{{19}{2.3}{section.2.3}} \backcite {Helgaker1999}{{19}{2.3}{section.2.3}} \backcite {Pedone2010}{{19}{2.3}{section.2.3}} \backcite {Fleming1986}{{19}{2.3}{section.2.3}} \backcite {Laane1999}{{19}{2.3}{section.2.3}} \backcite {Helgaker2012}{{19}{2.3}{section.2.3}} \backcite {Jensen2017}{{19}{2.3}{section.2.3}} \backcite {dftb1}{{19}{2.3}{section.2.3}} \backcite {dftb2}{{19}{2.3}{section.2.3}} \backcite {Elstner1998}{{19}{2.3}{section.2.3}} \backcite {Elstner2014}{{19}{2.3}{section.2.3}} \backcite {Singh1986}{{19}{2.3}{section.2.3}} \backcite {Gao1996}{{19}{2.3}{section.2.3}} \backcite {Mordasini1998}{{19}{2.3}{section.2.3}} \backcite {Hartree1928}{{19}{2.3.1}{subsection.2.3.1}} \backcite {Hartree1947}{{19}{2.3.1}{subsection.2.3.1}} \backcite {Slater1968}{{19}{2.3.1}{subsection.2.3.1}} \backcite {Mcweeny1992}{{20}{2.3.1}{equation.2.3.15}} \backcite {Szabo1996}{{20}{2.3.1}{equation.2.3.15}} \backcite {Kohanoff2006}{{20}{2.3.1}{equation.2.3.15}} \backcite {Helgaker2014}{{20}{2.3.1}{equation.2.3.15}} \backcite {Roothaan1951}{{20}{2.3.1}{equation.2.3.15}} \backcite {Blinder2018}{{20}{2.3.1}{equation.2.3.15}} \backcite {koch1999}{{20}{2.3.1}{equation.2.3.15}} \backcite {Moskowitz1965}{{21}{2.3.1}{equation.2.3.15}} \backcite {Lowdin1995}{{21}{2.3.1}{equation.2.3.15}} \backcite {Jensen2017}{{21}{2.3.1}{equation.2.3.15}} \backcite {Cramer2003}{{21}{2.3.1}{equation.2.3.15}} \backcite {Head1994}{{21}{2.3.1}{equation.2.3.15}} \backcite {Maurice1999}{{21}{2.3.1}{equation.2.3.15}} \backcite {Moller1934}{{21}{2.3.1}{equation.2.3.15}} \backcite {Pople1976}{{21}{2.3.1}{equation.2.3.15}} \backcite {Krishnan1978}{{21}{2.3.1}{equation.2.3.15}} \backcite {Vcivzek1966}{{21}{2.3.1}{equation.2.3.15}} \backcite {Purvis1982}{{21}{2.3.1}{equation.2.3.15}} \backcite {Raghavachari1989}{{21}{2.3.1}{equation.2.3.15}} \backcite {Van2001}{{21}{2.3.1}{equation.2.3.15}} \backcite {Curtiss1991}{{21}{2.3.1}{equation.2.3.15}} \backcite {Curtiss1998}{{21}{2.3.1}{equation.2.3.15}} \backcite {Ohlinger2009}{{21}{2.3.1}{equation.2.3.15}} \backcite {Head1994}{{21}{2.3.1}{equation.2.3.15}} \backcite {Magnasco2009}{{21}{2.3.1}{equation.2.3.15}} \backcite {Dacosta2011}{{21}{2.3.1}{equation.2.3.15}} \backcite {Kohn1965}{{21}{2.3.2}{subsection.2.3.2}} \backcite {kohn1999nobel}{{21}{2.3.2}{subsection.2.3.2}} \backcite {Hohenberg1964}{{22}{2.3.2}{subsection.2.3.2}} \backcite {Levy1979}{{22}{2.3.2}{subsection.2.3.2}} \backcite {Kohn1965}{{22}{2.3.2}{subsection.2.3.2}} \backcite {Thomas1927}{{22}{2.3.2}{equation.2.3.16}} \backcite {Fermi1928}{{22}{2.3.2}{equation.2.3.16}} \backcite {Kohn1965}{{23}{2.3.2}{equation.2.3.18}} \backcite {Kohn1965}{{25}{2.3.2}{equation.2.3.26}} \backcite {Kohn1965}{{25}{2.3.2}{equation.2.3.26}} \backcite {Herman1969}{{25}{2.3.2}{equation.2.3.26}} \backcite {Perdew1996}{{25}{2.3.2}{equation.2.3.26}} \backcite {Becke1993}{{25}{2.3.2}{equation.2.3.26}} \backcite {Becke1993}{{26}{2.3.2}{equation.2.3.27}} \backcite {Becke1988}{{26}{2.3.2}{equation.2.3.27}} \backcite {Lee1988}{{26}{2.3.2}{equation.2.3.27}} \backcite {Stephens1994}{{26}{2.3.2}{equation.2.3.27}} \backcite {Adamo1999}{{26}{2.3.2}{equation.2.3.27}} \backcite {Henderson2009}{{26}{2.3.2}{equation.2.3.27}} \backcite {Krukau2006}{{26}{2.3.2}{equation.2.3.27}} \backcite {Zhao2008}{{26}{2.3.2}{equation.2.3.27}} \backcite {Li2018}{{26}{2.3.2}{equation.2.3.27}} \backcite {Foulkes1989}{{26}{2.3.3}{subsection.2.3.3}} \backcite {Porezag1995}{{26}{2.3.3}{subsection.2.3.3}} \backcite {Elstner1998}{{26}{2.3.3}{subsection.2.3.3}} \backcite {Elstner1998}{{26}{2.3.3}{subsection.2.3.3}} \backcite {Porezag1995}{{26}{2.3.3}{subsection.2.3.3}} \backcite {Seifert1996}{{26}{2.3.3}{subsection.2.3.3}} \backcite {Elstne2007}{{26}{2.3.3}{subsection.2.3.3}} \backcite {Oliveira2009}{{26}{2.3.3}{subsection.2.3.3}} \backcite {Gaus2011}{{27}{2.3.3}{subsection.2.3.3}} \backcite {Mulliken1955}{{29}{2.3.3}{equation.2.3.40}} \backcite {Elstner1998}{{30}{2.3.3}{equation.2.3.42}} \backcite {Mulliken1955}{{30}{2.3.3}{equation.2.3.42}} \backcite {Bader1985}{{32}{2.3.3}{equation.2.3.48}} \backcite {Bader1990}{{32}{2.3.3}{equation.2.3.48}} \backcite {Glendening1998}{{32}{2.3.3}{equation.2.3.48}} \backcite {Glendening2012}{{32}{2.3.3}{equation.2.3.48}} \backcite {Singh1984}{{32}{2.3.3}{equation.2.3.48}} \backcite {Besler1990}{{32}{2.3.3}{equation.2.3.48}} \backcite {Li1998}{{32}{2.3.3}{equation.2.3.48}} \backcite {Kalinowski2004}{{32}{2.3.3}{equation.2.3.48}} \backcite {Kelly2005}{{32}{2.3.3}{equation.2.3.48}} \backcite {Rapacioli2009corr}{{32}{2.3.3}{equation.2.3.48}} \backcite {Mayer1983}{{32}{2.3.3}{equation.2.3.49}} \backcite {Cances1997}{{32}{2.3.3}{equation.2.3.49}} \backcite {Lu2012}{{32}{2.3.3}{equation.2.3.49}} \backcite {Lewis1995}{{32}{2.3.3}{equation.2.3.50}} \backcite {Gianturco1999}{{32}{2.3.3}{equation.2.3.50}} \backcite {Elstner2001}{{32}{2.3.3}{equation.2.3.50}} \backcite {Wu2002}{{32}{2.3.3}{equation.2.3.50}} \backcite {Grimme2004}{{32}{2.3.3}{equation.2.3.50}} \backcite {Zimmerli2004}{{32}{2.3.3}{equation.2.3.50}} \backcite {Neumann2005}{{32}{2.3.3}{equation.2.3.50}} \backcite {Goursot2007}{{32}{2.3.3}{equation.2.3.50}} \backcite {Frenkel2001}{{33}{2.3.4}{subsection.2.3.4}} \backcite {Jones1924}{{33}{2.3.4}{subsection.2.3.4}} \backcite {Lennard1924}{{33}{2.3.4}{subsection.2.3.4}} \backcite {Morse1929}{{33}{2.3.4}{subsection.2.3.4}} \backcite {Born1932}{{33}{2.3.4}{subsection.2.3.4}} \backcite {Stillinger1985}{{33}{2.3.4}{subsection.2.3.4}} \backcite {Kaplan2006}{{33}{2.3.4}{subsection.2.3.4}} \backcite {Bahar1997}{{33}{2.3.4}{subsection.2.3.4}} \backcite {Morse1929}{{33}{2.3.4}{equation.2.3.52}} \backcite {Girifalco1959}{{33}{2.3.4}{equation.2.3.52}} \backcite {Jones1924}{{33}{2.3.4}{equation.2.3.53}} \backcite {Lennard1924}{{33}{2.3.4}{equation.2.3.53}} \backcite {Lennard1931}{{34}{2.3.4}{equation.2.3.53}} \backcite {Monticelli2013}{{34}{2.3.4}{equation.2.3.54}} \backcite {Metropolis1987}{{36}{2.4.1}{subsection.2.4.1}} \backcite {Metropolis1949}{{36}{2.4.1}{subsection.2.4.1}} \backcite {Kroese2014}{{36}{2.4.1}{subsection.2.4.1}} \backcite {Rosenbluth1955}{{38}{2.4.1}{equation.2.4.65}} \backcite {Binder1993}{{38}{2.4.1}{equation.2.4.65}} \backcite {Baeurle2009}{{38}{2.4.1}{equation.2.4.65}} \backcite {Alder1957}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Gibson1960}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Rahman1964}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Frenkel2001}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Allen2017}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Cicccotti1987}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Van1990}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Berne1998}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Tuckerman2000}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Karplus2002}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Rapaport2004}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Tavan2005}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Van2006}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Karplus2002}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Parrinello1980}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Ballone1988}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Gutierrez1996}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Briant1975}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Postma1982}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Honeycutt1987}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Dang1997}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Coveney2016}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Charati1998}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Yeh2004}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Braga2014}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Pranami2015}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Yeh2004}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Mondello1997}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Hess2002}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Zhang2015}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Aragon1976}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Vuilleumier1999}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Pavone2006}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Brancato2006}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Beck2000}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Wang2003}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Wei1994}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Light2000}{{40}{2.4.2}{subsection.2.4.2}} \backcite {Batina1991}{{41}{2.4.2}{equation.2.4.68}} \backcite {Butcher2008}{{41}{2.4.2}{equation.2.4.68}} \backcite {Gear1966}{{41}{2.4.2}{equation.2.4.68}} \backcite {Diethelm2002}{{41}{2.4.2}{equation.2.4.68}} \backcite {Runge1895}{{41}{2.4.2}{equation.2.4.68}} \backcite {Kutta1901}{{41}{2.4.2}{equation.2.4.68}} \backcite {Butcher1996}{{41}{2.4.2}{equation.2.4.68}} \backcite {Butcher2015}{{41}{2.4.2}{equation.2.4.68}} \backcite {Verlet1967}{{41}{2.4.2}{equation.2.4.68}} \backcite {Fraige2004}{{41}{2.4.2}{equation.2.4.68}} \backcite {Swope1982}{{41}{2.4.2}{equation.2.4.68}} \backcite {Ray1981}{{43}{2.4.2}{equation.2.4.77}} \backcite {Ray1999}{{43}{2.4.2}{equation.2.4.77}} \backcite {Nose1984}{{43}{2.4.2}{equation.2.4.77}} \backcite {Nose1984M}{{43}{2.4.2}{equation.2.4.77}} \backcite {Hoover1985}{{43}{2.4.2}{equation.2.4.77}} \backcite {Hunenberger2005}{{43}{2.4.2}{equation.2.4.77}} \backcite {Torrie1977}{{44}{2.4.3}{subsection.2.4.3}} \backcite {Hansmann1993}{{44}{2.4.3}{subsection.2.4.3}} \backcite {Marchi1999}{{44}{2.4.3}{subsection.2.4.3}} \backcite {Bartels2000}{{44}{2.4.3}{subsection.2.4.3}} \backcite {Darve2001}{{44}{2.4.3}{subsection.2.4.3}} \backcite {Laio2002}{{44}{2.4.3}{subsection.2.4.3}} \backcite {Iannuzzi2003}{{44}{2.4.3}{subsection.2.4.3}} \backcite {Barducci2011}{{44}{2.4.3}{subsection.2.4.3}} \backcite {Kirkpatrick1983}{{44}{2.4.3}{subsection.2.4.3}} \backcite {Van1987}{{44}{2.4.3}{subsection.2.4.3}} \backcite {Swendsen1986}{{44}{2.4.3}{subsection.2.4.3}} \backcite {Geyer1991}{{44}{2.4.3}{subsection.2.4.3}} \backcite {Hukushima1996}{{44}{2.4.3}{subsection.2.4.3}} \backcite {Falcioni1999}{{44}{2.4.3}{subsection.2.4.3}} \backcite {Earl2005}{{44}{2.4.3}{subsection.2.4.3}} \backcite {Sugita1999}{{44}{2.4.3}{subsection.2.4.3}} \backcite {Wales1997}{{46}{2.4.4}{subsection.2.4.4}} \backcite {Wales1999}{{46}{2.4.4}{subsection.2.4.4}} \backcite {Hartke1993}{{46}{2.4.4}{subsection.2.4.4}} \backcite {Unger1993}{{46}{2.4.4}{subsection.2.4.4}} \backcite {Sivanandam2008}{{46}{2.4.4}{subsection.2.4.4}} \backcite {Toledo2014}{{46}{2.4.4}{subsection.2.4.4}} \backcite {deMonNano2009}{{50}{3.1.1}{subsection.3.1.1}} \backcite {Elstner1998}{{50}{3.1.1}{subsection.3.1.1}} \backcite {Gaus2013para}{{50}{3.1.1}{subsection.3.1.1}} \backcite {Li1998}{{50}{3.1.1}{subsection.3.1.1}} \backcite {Rapacioli2009corr}{{50}{3.1.1}{subsection.3.1.1}} \backcite {Thompson2003}{{50}{3.1.1}{subsection.3.1.1}} \backcite {Rapacioli2009corr}{{50}{3.1.1}{subsection.3.1.1}} \backcite {Elstner2001}{{50}{3.1.1}{subsection.3.1.1}} \backcite {Zhechkov2005}{{50}{3.1.1}{subsection.3.1.1}} \backcite {Simon2012}{{50}{3.1.1}{subsection.3.1.1}} \backcite {Odutola1980}{{50}{3.1.1}{subsection.3.1.1}} \backcite {Earl2005}{{50}{3.1.2}{subsection.3.1.2}} \backcite {Sugita1999}{{50}{3.1.2}{subsection.3.1.2}} \backcite {Sugita2000}{{50}{3.1.2}{subsection.3.1.2}} \backcite {Elstner1998}{{50}{3.1.2}{subsection.3.1.2}} \backcite {Nose1984M}{{51}{3.1.2}{subsection.3.1.2}} \backcite {Hoover1985}{{51}{3.1.2}{subsection.3.1.2}} \backcite {Douady2009}{{51}{3.1.2}{subsection.3.1.2}} \backcite {Nose1984M}{{51}{3.1.2}{subsection.3.1.2}} \backcite {Hoover1985}{{51}{3.1.2}{subsection.3.1.2}} \backcite {Wolken2000}{{51}{3.1.2}{subsection.3.1.2}} \backcite {Pedersen2014}{{51}{3.1.2}{subsection.3.1.2}} \backcite {Weigend2005}{{51}{3.1.3}{subsection.3.1.3}} \backcite {Weigend2006}{{51}{3.1.3}{subsection.3.1.3}} \backcite {GaussianCode}{{51}{3.1.3}{subsection.3.1.3}} \backcite {Boys2002}{{52}{3.1.3}{subsection.3.1.3}} \backcite {Tielens2005}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Keesee1989}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Gilligan2000}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Sennikov2005}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Cabellos2016}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Orabi2013}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Bommer2016}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Rodgers2003}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Van2004}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Gibb2004}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Parise2005}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Boogert2015}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Dulieu2010}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Michoulier2018}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Kulmala2004}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Ziereis1986}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Perkins1984}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Arnold1997}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Dunne2016}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Kirkby2011}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Douady2009}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Perkins1984}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Herbine1985}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Stockman1992}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Hulthe1997}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Wang1998}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Chang1998}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Jiang1999}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Hvelplund2010}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Douady2008}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Morrell2010}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Bacelo2002}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Galashev2013}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Perkins1984}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Hulthe1997}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Hvelplund2010}{{53}{3.2.1}{subsection.3.2.1}} \backcite {Chang1998}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Jiang1999}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Hvelplund2010}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Bacelo2002}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Galashev2013}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Lee1996}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Skurski1998}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Donaldson1999}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Sadlej1999}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Lee1996}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Bacelo2002}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Douady2008}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Kozack1992polar}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Morrell2010}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Pei2015}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Walters2018}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Korchagina2017}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Choi2010}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Choi2013}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Simon2019}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Simon2012}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Simon2013water}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Korchagina2016}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Simon2017formation}{{54}{3.2.1}{subsection.3.2.1}} \backcite {Winget2003}{{55}{3.2.1}{subsection.3.2.1}} \backcite {Gaus2013para}{{55}{3.2.1}{subsection.3.2.1}} \backcite {Rapacioli2009}{{55}{3.2.1}{subsection.3.2.1}} \backcite {Thompson2003}{{55}{3.2.1}{subsection.3.2.1}} \backcite {Simon2019}{{55}{3.2.1}{subsection.3.2.1}} \backcite {Gaus2013para}{{58}{3.2.2.1}{figure.caption.11}} \backcite {Winget2003}{{58}{3.2.2.1}{figure.caption.11}} \backcite {Wang1998}{{59}{3.2.2.2}{subsubsection.3.2.2.2}} \backcite {Jiang1999}{{59}{3.2.2.2}{subsubsection.3.2.2.2}} \backcite {Wang1998}{{59}{3.2.2.2}{subsubsection.3.2.2.2}} \backcite {Jiang1999}{{59}{3.2.2.2}{subsubsection.3.2.2.2}} \backcite {Douady2008}{{59}{3.2.2.2}{subsubsection.3.2.2.2}} \backcite {Douady2009}{{61}{3.2.2.2}{table.caption.16}} \backcite {Wang1998}{{61}{3.2.2.2}{table.caption.16}} \backcite {Jiang1999}{{61}{3.2.2.2}{table.caption.16}} \backcite {Douady2008}{{61}{3.2.2.2}{table.caption.16}} \backcite {Morrell2010}{{61}{3.2.2.2}{table.caption.16}} \backcite {Lee2004}{{61}{3.2.2.2}{table.caption.16}} \backcite {Wang1998}{{61}{3.2.2.3}{subsubsection.3.2.2.3}} \backcite {Jiang1999}{{61}{3.2.2.3}{subsubsection.3.2.2.3}} \backcite {Douady2008}{{61}{3.2.2.3}{subsubsection.3.2.2.3}} \backcite {Lee2004}{{61}{3.2.2.3}{subsubsection.3.2.2.3}} \backcite {Pickard2005}{{61}{3.2.2.3}{subsubsection.3.2.2.3}} \backcite {Wang1998}{{61}{3.2.2.3}{subsubsection.3.2.2.3}} \backcite {Chang1998}{{61}{3.2.2.3}{subsubsection.3.2.2.3}} \backcite {Jiang1999}{{61}{3.2.2.3}{subsubsection.3.2.2.3}} \backcite {Douady2008}{{63}{3.2.2.3}{table.caption.18}} \backcite {Morrell2010}{{63}{3.2.2.3}{table.caption.18}} \backcite {Jiang1999}{{63}{3.2.2.3}{table.caption.18}} \backcite {Douady2008}{{64}{3.2.2.3}{table.caption.18}} \backcite {Morrell2010}{{64}{3.2.2.3}{table.caption.18}} \backcite {Wang1998}{{64}{3.2.2.3}{table.caption.18}} \backcite {Douady2008}{{64}{3.2.2.3}{table.caption.18}} \backcite {Douady2008}{{65}{3.2.2.3}{table.caption.18}} \backcite {Douady2008}{{65}{3.2.2.3}{table.caption.18}} \backcite {Morrell2010}{{65}{3.2.2.3}{table.caption.18}} \backcite {Douady2008}{{65}{3.2.2.3}{figure.caption.19}} \backcite {Douady2008}{{65}{3.2.2.3}{figure.caption.19}} \backcite {Douady2008}{{66}{3.2.2.3}{figure.caption.19}} \backcite {Douady2008}{{67}{3.2.2.3}{figure.caption.19}} \backcite {Douady2008}{{67}{3.2.2.3}{figure.caption.19}} \backcite {Douady2008}{{67}{3.2.2.3}{figure.caption.19}} \backcite {Lee1996}{{68}{3.2.2.4}{subsubsection.3.2.2.4}} \backcite {Bacelo2002}{{68}{3.2.2.4}{subsubsection.3.2.2.4}} \backcite {Bacelo2002}{{68}{3.2.2.4}{subsubsection.3.2.2.4}} \backcite {Douady2009}{{73}{3.2.2.5}{subsubsection.3.2.2.5}} \backcite {Kazimirski2003}{{73}{3.2.2.5}{subsubsection.3.2.2.5}} \backcite {Bandow2006}{{73}{3.2.2.5}{subsubsection.3.2.2.5}} \backcite {Douady2009}{{73}{3.2.2.5}{subsubsection.3.2.2.5}} \backcite {Castrovilli2017}{{75}{3.3.1}{subsection.3.3.1}} \backcite {Maclot2011}{{75}{3.3.1}{subsection.3.3.1}} \backcite {Domaracka2012}{{75}{3.3.1}{subsection.3.3.1}} \backcite {Markush2016}{{75}{3.3.1}{subsection.3.3.1}} \backcite {Wincel2009}{{75}{3.3.1}{subsection.3.3.1}} \backcite {Boudaiffa2000}{{75}{3.3.1}{subsection.3.3.1}} \backcite {Smyth2011}{{75}{3.3.1}{subsection.3.3.1}} \backcite {Siefermann2011}{{75}{3.3.1}{subsection.3.3.1}} \backcite {Alizadeh2013}{{75}{3.3.1}{subsection.3.3.1}} \backcite {Rasmussen2010}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Coates2018}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Nelson1994}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Sadr2014}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Molina2016}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Bakker2008}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Shishkin2000}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Gadre2000}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Van2001diffu}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Gaigeot2001}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Danilov2006}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Bacchus2015}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Gadre2000}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Van2001diffu}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Gaigeot2001}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Danilov2006}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Bacchus2015}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Gaigeot2001}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Shishkin2000}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Bacchus2015}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Danilov2006}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Bacchus2015}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Gadre2000}{{76}{3.3.1}{subsection.3.3.1}} \backcite {Danilov2006}{{77}{3.3.1}{subsection.3.3.1}} \backcite {Bacchus2015}{{77}{3.3.1}{subsection.3.3.1}} \backcite {Braud2019}{{77}{3.3.1}{subsection.3.3.1}} \backcite {Dalleska1993}{{78}{3.3.2.1}{figure.caption.23}} \backcite {Zamith2012}{{78}{3.3.2.1}{figure.caption.23}} \backcite {Myers2007}{{78}{3.3.2.1}{equation.3.3.3}} \backcite {Zamith2012}{{79}{3.3.2.1}{equation.3.3.3}} \backcite {Dalleska1993}{{79}{3.3.2.1}{equation.3.3.3}} \backcite {Dalleska1993}{{79}{3.3.2.1}{equation.3.3.3}} \backcite {Hansen2009}{{79}{3.3.2.1}{equation.3.3.3}} \backcite {Wincel2009}{{79}{3.3.2.1}{equation.3.3.3}} \backcite {Bakker2008}{{79}{3.3.2.1}{equation.3.3.3}} \backcite {Dalleska1993}{{79}{3.3.2.1}{equation.3.3.3}} \backcite {Hansen2009}{{79}{3.3.2.1}{equation.3.3.3}} \backcite {Wincel2009}{{79}{3.3.2.1}{equation.3.3.3}} \backcite {Dalleska1993}{{80}{3.14}{figure.caption.24}} \backcite {Zamith2012}{{80}{3.14}{figure.caption.24}} \backcite {Kurinovich2002}{{81}{3.3.2.1}{figure.caption.25}} \backcite {Magnera1991}{{81}{3.3.2.1}{figure.caption.25}} \backcite {Cheng1998}{{81}{3.3.2.1}{figure.caption.25}} \backcite {Cheng1998}{{81}{3.3.2.1}{figure.caption.25}} \backcite {Bakker2008}{{81}{3.3.2.1}{figure.caption.26}} \backcite {Magnera1991}{{82}{3.16}{figure.caption.26}} \backcite {Cheng1998}{{82}{3.16}{figure.caption.26}} \backcite {Kurinovich2002}{{82}{3.16}{figure.caption.26}} \backcite {Wolken2000}{{84}{3.3.2.2}{table.caption.28}} \backcite {Pedersen2014}{{84}{3.3.2.2}{table.caption.28}} \backcite {Pedersen2014}{{84}{3.3.2.2}{table.caption.28}} \backcite {Bakker2008}{{84}{3.3.2.2}{table.caption.28}} \backcite {Zundel1968}{{88}{3.3.2.2}{figure.caption.34}} \backcite {Molina2015}{{92}{3.3.2.2}{figure.caption.38}} \backcite {Molina2016}{{92}{3.3.2.2}{figure.caption.38}} \backcite {Brechignac1989}{{97}{4.1}{section.4.1}} \backcite {Brechignac1994}{{97}{4.1}{section.4.1}} \backcite {Wong2004}{{97}{4.1}{section.4.1}} \backcite {Bush2008}{{97}{4.1}{section.4.1}} \backcite {Holm2010}{{98}{4.1}{section.4.1}} \backcite {Gatchell2017}{{98}{4.1}{section.4.1}} \backcite {Gatchell2014}{{98}{4.1}{section.4.1}} \backcite {Zamith2019thermal}{{98}{4.1}{section.4.1}} \backcite {Boering1992}{{98}{4.1}{section.4.1}} \backcite {Wells2005}{{98}{4.1}{section.4.1}} \backcite {Ma1997}{{98}{4.1}{section.4.1}} \backcite {Chowdhury2009}{{98}{4.1}{section.4.1}} \backcite {Nelson1994}{{98}{4.1}{section.4.1}} \backcite {Molina2015}{{98}{4.1}{section.4.1}} \backcite {Carl2007}{{98}{4.1}{section.4.1}} \backcite {Wells2005}{{98}{4.1}{section.4.1}} \backcite {Sleno2004ion}{{98}{4.1}{section.4.1}} \backcite {Cody1982}{{98}{4.1}{section.4.1}} \backcite {Olsen2007higher}{{98}{4.1}{section.4.1}} \backcite {Hart2011}{{98}{4.1}{section.4.1}} \backcite {Gauthier1991}{{98}{4.1}{section.4.1}} \backcite {Laskin2005}{{98}{4.1}{section.4.1}} \backcite {Coates2018}{{98}{4.1}{section.4.1}} \backcite {Mcquinn2009}{{98}{4.1}{section.4.1}} \backcite {Carl2013}{{98}{4.1}{section.4.1}} \backcite {Hofstetter2013}{{98}{4.1}{section.4.1}} \backcite {Coates2017}{{98}{4.1}{section.4.1}} \backcite {Graul1989}{{98}{4.1}{section.4.1}} \backcite {Wei1991}{{98}{4.1}{section.4.1}} \backcite {Goebbert2006}{{98}{4.1}{section.4.1}} \backcite {Haag2009}{{98}{4.1}{section.4.1}} \backcite {Liu2006}{{98}{4.1}{section.4.1}} \backcite {Nguyen2011}{{98}{4.1}{section.4.1}} \backcite {Shuck2014}{{98}{4.1}{section.4.1}} \backcite {Castrovilli2017}{{98}{4.1}{section.4.1}} \backcite {Bera2018}{{98}{4.1}{section.4.1}} \backcite {Liu2006}{{99}{4.1}{section.4.1}} \backcite {Castrovilli2017}{{99}{4.1}{section.4.1}} \backcite {Markush2016}{{99}{4.1}{section.4.1}} \backcite {Bakker2008}{{99}{4.1}{section.4.1}} \backcite {Li1992}{{99}{4.1}{section.4.1}} \backcite {Bobbert2002}{{99}{4.1}{section.4.1}} \backcite {Coates2018}{{99}{4.1}{section.4.1}} \backcite {Carl2013}{{99}{4.1}{section.4.1}} \backcite {Hofstetter2013}{{99}{4.1}{section.4.1}} \backcite {Dawson1982}{{99}{4.1}{section.4.1}} \backcite {Bakker2008}{{99}{4.1}{section.4.1}} \backcite {Zamith2012}{{99}{4.1}{section.4.1}} \backcite {Mcquinn2009}{{99}{4.1}{section.4.1}} \backcite {Liu2006}{{99}{4.1}{section.4.1}} \backcite {Coates2018}{{99}{4.1}{section.4.1}} \backcite {Carl2013}{{99}{4.1}{section.4.1}} \backcite {Hofstetter2013}{{99}{4.1}{section.4.1}} \backcite {Spasov2000}{{99}{4.1}{section.4.1}} \backcite {Armentrout2008}{{99}{4.1}{section.4.1}} \backcite {Braud2019}{{99}{4.1}{section.4.1}} \backcite {Zamith2020threshold}{{99}{4.1}{section.4.1}} \backcite {Klippenstein1992}{{99}{4.1.1}{subsection.4.1.1}} \backcite {Baer1996}{{99}{4.1.1}{subsection.4.1.1}} \backcite {Armentrout2008}{{100}{4.1.1}{subsection.4.1.1}} \backcite {Rodgers1998}{{100}{4.1.1}{equation.4.1.1}} \backcite {Armentrout2007}{{100}{4.1.1}{equation.4.1.1}} \backcite {Braud2017}{{100}{4.1.2}{figure.caption.39}} \backcite {Chirot2006new}{{102}{4.1.2}{figure.caption.39}} \backcite {Elstner1998}{{102}{4.2.1}{subsection.4.2.1}} \backcite {Elstner2014}{{102}{4.2.1}{subsection.4.2.1}} \backcite {Porezag1995}{{102}{4.2.1}{subsection.4.2.1}} \backcite {Seifert1996}{{102}{4.2.1}{subsection.4.2.1}} \backcite {Frenzel2004}{{102}{4.2.1}{subsection.4.2.1}} \backcite {Spiegelman2020}{{102}{4.2.1}{subsection.4.2.1}} \backcite {Korchagina2017}{{102}{4.2.1}{subsection.4.2.1}} \backcite {Simon2017}{{102}{4.2.1}{subsection.4.2.1}} \backcite {Rapacioli2018}{{102}{4.2.1}{subsection.4.2.1}} \backcite {Simon2018}{{102}{4.2.1}{subsection.4.2.1}} \backcite {Warshel1976}{{102}{4.2.1}{subsection.4.2.1}} \backcite {Cui2001}{{102}{4.2.1}{subsection.4.2.1}} \backcite {Iftner2014}{{102}{4.2.1}{subsection.4.2.1}} \backcite {Kukk2015}{{102}{4.2.1}{subsection.4.2.1}} \backcite {Kukk2015}{{103}{4.2.1}{subsection.4.2.1}} \backcite {Simon2017}{{103}{4.2.1}{subsection.4.2.1}} \backcite {Simon2017}{{103}{4.2.1}{subsection.4.2.1}} \backcite {Simon2018}{{103}{4.2.1}{subsection.4.2.1}} \backcite {Rapacioli2018atomic}{{103}{4.2.1}{subsection.4.2.1}} \backcite {Dontot2019}{{103}{4.2.2}{subsection.4.2.2}} \backcite {Nose1984}{{103}{4.2.2}{subsection.4.2.2}} \backcite {Hoover1985}{{103}{4.2.2}{subsection.4.2.2}} \backcite {Braud2019}{{105}{4.3.1}{subsection.4.3.1}} \backcite {Braud2019}{{109}{4.3.3}{subsection.4.3.3}} \backcite {Braud2019}{{116}{4.3.4}{table.caption.52}} \backcite {Braud2019}{{122}{4.3.5}{subsection.4.3.5}} \backcite {Braud2019}{{126}{4.3.6}{subsection.4.3.6}} \backcite {Eaves2015}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Chung2011}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Saggese2015}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Mao2017}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Wang2018}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Kyrtopoulos2001}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Farmer2003}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Aumaitre2019}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Tielens2008}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Leger1984}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Allamandola1985}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Rapacioli2005}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Berne2008}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Schmidt2006}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Wang2018}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Eschenbach1998}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Goulart2017}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Lei2019}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Joblin2017}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Roser2015}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Lemmens2019}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Joblin2017}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Holm2010}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Schmidt2006}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Gatchell2015}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Gatchell2017}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Zamith2019thermal}{{131}{4.4.1}{subsection.4.4.1}} \backcite {Zamith2019thermal}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Delaunay2015}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Zhen2018}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Chen2018}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Piacenza2005}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Birer2015}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Rapacioli2009corr}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Mao2017}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Zhao2008truhlar}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Bowal2019}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Ricca2013}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Grafenstein2009}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Rapacioli2009}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Joblin2017}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Dontot2019}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Dontot2016}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Dontot2020}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Elstner1998}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Porezag1995}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Seifert1996}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Spiegelman2020}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Rapacioli2011}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Gatchell2016}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Gatchell2016knockout}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Zamith2020threshold}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Zamith2019thermal}{{132}{4.4.1}{subsection.4.4.1}} \backcite {Zamith2020threshold}{{135}{4.4.3}{subsection.4.4.3}} \backcite {Levine1987}{{135}{4.4.3}{subsection.4.4.3}} \backcite {Zamith2020threshold}{{135}{4.4.3}{subsection.4.4.3}} \backcite {Zamith2020threshold}{{137}{4.4.4}{subsection.4.4.4}} \backcite {Dontot2019}{{137}{4.4.4}{subsection.4.4.4}} \backcite {Gatchell2016knockout}{{141}{4.4.4.2}{figure.caption.69}} \backcite {Chen2014}{{141}{4.4.4.2}{figure.caption.69}} \backcite {Zamith2020threshold}{{143}{4.4.4.2}{figure.caption.70}} \backcite {Zamith2020threshold}{{143}{4.4.4.2}{equation.4.4.12}} \backcite {Dontot2019}{{143}{4.4.4.2}{equation.4.4.12}} \backcite {Dontot2020}{{149}{4.4.4.2}{figure.caption.78}} \backcite {Gatchell2016knockout}{{155}{4.4.5}{subsection.4.4.5}} \backcite {Chen2014}{{155}{4.4.5}{subsection.4.4.5}} \backcite {Braud2019}{{158}{5.1}{section.5.1}} \backcite {Simon2019}{{158}{5.1}{section.5.1}} \backcite {Zamith2020threshold}{{160}{5.1}{section.5.1}} \backcite {Zheng2021}{{160}{5.1}{section.5.1}}