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1

Mariapfarr Workshop in Theoretical Chemistry (1996). Potential energy surfaces: Proceedings of the Mariapfarr Workshop in Theoretical Chemistry. Berlin: Springer, 1999.

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2

Sax, Alexander F., ed. Potential Energy Surfaces. Berlin, Heidelberg: Springer Berlin Heidelberg, 1999. http://dx.doi.org/10.1007/978-3-642-46879-7.

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3

Hoffmann, Mark R., and Kenneth G. Dyall, eds. Low-Lying Potential Energy Surfaces. Washington, DC: American Chemical Society, 2002. http://dx.doi.org/10.1021/bk-2002-0828.

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4

Law, Mark M. Fitting molecular potential energy surfaces. Daresbury: Collaborative Computational Project on Heavy Particle Dynamics (CCP6), 1993.

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5

1958-, Hoffmann Mark R., Dyall Kenneth G. 1955-, American Chemical Society. Division of Physical Chemistry, and American Chemical Society Meeting, eds. Low-lying potential energy surfaces. Washington, D.C: American Chemical Society, 2002.

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6

Heidrich, D., W. Kliesch, and W. Quapp. Properties of Chemically Interesting Potential Energy Surfaces. Berlin, Heidelberg: Springer Berlin Heidelberg, 1991. http://dx.doi.org/10.1007/978-3-642-93499-5.

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7

Heidrich, D. Properties of chemically interesting potential energy surfaces. Berlin: Springer-Verlag, 1991.

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8

Wales, David J. Energy landscapes. Cambridge: Cambridge University Press, 2003.

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9

Abrahamsson, Erik. Atom-diatom scattering: From potential energy surfaces to rate constants. [Gothenburg]: Department of Chemistry, University of Gothenburg, 2008.

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10

Stallcop, James R. Ab initio potential-energy surfaces and electron-spin-exchange cross sections for H-O₂ interactions. [Washington, DC: National Aeronautics and Space Administration, 1996.

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11

Harry, Partridge, Levin Eugene, and United States. National Aeronautics and Space Administration., eds. Ab initio potential-energy surfaces and electron-spin-exchange cross sections for H-O₂ interactions. [Washington, DC: National Aeronautics and Space Administration, 1996.

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12

Stallcop, James R. Ab initio potential-energy surfaces and electron-spin-exchange cross sections for H-O₂ interactions. [Washington, DC: National Aeronautics and Space Administration, 1996.

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13

Workshop on the Potential for Energy Efficiency in Canada (1993 Hull, Québec). Proceedings: A Workshop on the Potential for Energy Efficiency in Canada. [Ottawa, Ont.]: Energy, Mines and Resources Canada, 1993.

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14

Canada. Energy, Mines and Resources Canada. Efficiency and Alternative Energy Branch. A workshop on the potential for energy efficiency in Canada. Ottawa: Energy, MInes and Resources Canada., 1993.

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15

de, Oliveira Adilson, and Rovere E. Lèbre La, eds. Potential use of biomass for energy purposes in Brazil up to the year 2000. [Rio de Janeiro]: Coordenação dos Programas de Pós-Graduação de Engenharia, Universidade Federal do Rio de Janeiro, 1986.

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16

National Renewable Energy Laboratory (U.S.) and American Meteorological Society, eds. New wind energy resource potential estimates for the United States. Golden, Colo.]: National Renewable Energy Laboratory, 2011.

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17

NATO Advanced Research Workshop on Reflection High-Energy Electron Diffraction and Reflection Electron Imaging of Surfaces (1987 Veldhoven, Netherlands). Reflection high-energy electron diffraction and reflection electron imaging of surfaces. New York: Plenum Press, 1988.

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18

American Association of Petroleum Geologists, National Energy Technology Laboratory (U.S.), American Association of Petroleum Geologists Foundation, American Association of Petroleum Geologists. Energy Minerals Division, and AAPG Hedberg Research Conference (2004 : Vancouver, B.C.), eds. Natural gas hydrates: Energy resource potential and associated geologic hazards. Tulsa, Okla: American Association of Petroleum Geologists, 2009.

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19

R, Langhoff Stephen, Taylor Peter R, and United States. National Aeronautics and Space Administration., eds. Recent advances in electronic structure theory and their influence on the accuracy of ab initio potential energy surfaces. [Washington, D.C.?: National Aeronautics and Space Administration, 1989.

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20

Jitariu, Luminita Carmen. Theoretical study of potential energy surfaces for reactions of the NO3 [subscript] radical with small radicals in the atmosphere. [s.l.]: typescript, 1999.

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21

United States. National Aeronautics and Space Administration., ed. Computed potential energy surfaces for chemical reactions: Semi-annual report for the period Jaunary 1, 1992 - June 30, 1992 ... Sunnyvale, CA: Eloret Institute, 1992.

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22

EPM 87 (1987 Dresden, Germany). EPM 87: Energy pulse and particle beam modification of materials : international conference held September 7-11, 1987, Dresden, G.D.R. Berlin: Akademie-Verlag, 1988.

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23

Nanotekunorojī, Sōgō Shien Purojekuto Wākushoppu (2005 Tsukuba-shi Japan). Nanotekunorojī Sōgō Shien Purojekuto Wākushoppu: LEEM/PEEM o mochiita hyōmen kenkyū no atarashii tenkai : PF Kenkyūkai = Progresses in low energy electron microscopy and photoemission electron microscopy studies (LEEM & PEEM). [Tsukuba-shi: Kō-enerugī Kasokuki Kenkyū Kikō, 2008.

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24

Nanotekunorojī Sōgō Shien Purojekuto Wākushoppu (2005 Tsukuba-shi, Japan). Nanotekunorojī Sōgō Shien Purojekuto Wākushoppu: LEEM/PEEM o mochiita hyōmen kenkyū no atarashii tenkai : PF Kenkyūkai = Progresses in low energy electron microscopy and photoemission electron microscopy studies (LEEM & PEEM). [Tsukuba-shi: Kō-enerugī Kasokuki Kenkyū Kikō, 2008.

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25

EPM, '89 (1989 Dresden Germany). EPM '89: 3rd International Conference on Energy Pulse and Particle Beam Modification of Materials, September 4-8, 1989, Dresden, GDR : abstracts. [S.l: s.n., 1989.

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26

Canada. Efficiency and Alternative Energy Branch. Proceedings : a workshop on the potential for energy efficiency in Canada =: Compte rendu : colloque sur le potentiel d'efficacité énergétique au Canada. Ottawa, Ont: Natural Resources Canada = Ressources naturelles Canada, 1993.

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27

Seminar, International Federation for Heat Treatment and Surface Engineering International. Environmental and energy efficient heat treatment technologies: Proceedings of the 4th International Seminar of International Federation for Heat Treatment and Surface Engineering : September 15-17, 1993, Beijing, China. Beijing, People's Republic of China: International Academic Publishers, 1993.

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28

United States. National Aeronautics and Space Administration, ed. Computed potential energy surfaces for chemical reactions: Semi-annual report for cooperative agreement NCC2-478 for the period January 1, 1988-June 30, 1988. Sunnyvale, CA: The Institute, 1988.

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29

Eugene, Levin, and United States. National Aeronautics and Space Administration., eds. Computed potential energy surfaces for chemical reactions: Periodic research report for the period, January 1, 1993 - August 31, 1993 for cooperative agreement NCC2-478. [Washington, D.C: National Aeronautics and Space Administration, 1993.

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30

Eugene, Levin, and United States. National Aeronautics and Space Administration., eds. Computed potential energy surfaces for chemical reactions: Periodic research report for the period, January 1, 1993 - August 31, 1993 for cooperative agreement NCC2-478. [Washington, D.C: National Aeronautics and Space Administration, 1993.

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31

Center, Ames Research, and Eloret Institute, eds. Computed potential energy surfaces for chemical reactions: Final technical report for cooperative agreement NCC2-478 for the funding period July 1, 1987 - January 31, 1994. Moffett Field, Calif: The Center, 1994.

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32

Center, Ames Research, and Eloret Institute, eds. Computed potential energy surfaces for chemical reactions: Final technical report for cooperative agreement NCC2-478 for the funding period July 1, 1987 - January 31, 1994. Moffett Field, Calif: The Center, 1994.

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33

National Research Council (U.S.). Committee on Potential Applications of Concentrated Solar Photons., ed. Potential applications of concentrated solar energy: Proceedings of a workshop : held at the Solar Energy Research Institute, 1617 Cole Boulevard, Golden, Colorado, November 7 and 8, 1990. Washington, D.C: National Academy Press, 1991.

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34

1937-, Sass J. H., Geological Survey (U.S.), and United States. Dept. of Energy., eds. Potential of hot-dry-rock geothermal energy in the eastern United States: A report to the United States Congress under Section 2502 of Public Law 102-486 (The Energy Policy Act of 1992). [Menlo Park, Calif.?]: The Survey, 1993.

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35

1937-, Sass J. H., Geological Survey (U.S.), and United States. Dept. of Energy, eds. Potential of hot-dry-rock geothermal energy in the eastern United States: A report to the United States Congress under Section 2502 of Public Law 102-486 (The Energy Policy Act of 1992). [Menlo Park, Calif.?]: The Survey, 1993.

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36

International Specialists' Meeting on Potential of Small Nuclear Reactors for Future Clean and Safe Energy Sources, SR/TIT (1991 Tokyo, Japan). Potential of small nuclear reactors for future clean and safe energy sources: Proceedings of the International Specialists' Meeting on Potential of Small Nuclear Reactors for Future Clean and Safe Energy Sources, SR/TIT, Tokyo, Japan, 23-25 October 1991. Amsterdam: Elsevier, 1992.

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37

Agency, International Atomic Energy, ed. Neutron reflectometry: A probe for materials surfaces : proceedings of a technical meeting organized by the International Atomic Energy Agency and held in Vienna, 16-20 August 2004. Vienna: International Atomic Energy Agency, 2006.

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38

C, Julien, and Stoĭnov Z. B, eds. Materials for lithium-ion batteries. Dordrecht: Kluwer Academic Publishers, 2000.

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39

Lynn, Ferguson B., ASM Heat Treating Society, and ASM International, eds. Heat treating 2011: Proceedings of the 26th ASM Heat Treating Society Conference : October 31-November 2, 2011, Duke Energy Convention Center, Cincinnati, Ohio, USA. Materials Park, Ohio: ASM International, 2011.

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40

1934-, Okiji A., Makoshi K. 1948-, Kasai H. 1952-, and Taniguchi International Symposium on the Theory of Condensed Matter (18th : 1996 : Kashikojima, Japan), eds. Elementary processes in excitations and reactions on solid surfaces: Proceedings of the 18th Taniguchi Symposium, Kashikojima, Japan, January 22-27, 1996. Berlin: Springer, 1996.

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41

Ibragimov, Zair. Topics in several complex variables: First USA-Uzbekistan Conference on Analysis and Mathematical Physics, May 20-23, 2014, California State University, Fullerton, California. Providence, Rhode Island: American Mathematical Society, 2016.

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42

Molecular Potential Energy Surfaces in Many Dimensions. Collaborative Computational Project on Molecular Quantum Dynamics (CCP6), 2009.

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43

Henriksen, Niels Engholm, and Flemming Yssing Hansen. Potential Energy Surfaces. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198805014.003.0003.

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This chapter discusses potential energy surfaces, that is, the electronic energy as a function of the internuclear coordinates as obtained from the electronic Schrödinger equation. It focuses on the general topology of such energy surfaces for unimolecular and bimolecular reactions. To that end, concepts like saddle point, barrier height, minimum-energy path, and early and late barriers are discussed. It concludes with a discussion of approximate analytical solutions to the electronic Schrödinger equation, in particular, the interaction of three hydrogen atoms expressed in terms of Coulomb and exchange integrals, as described by the so-called London equation. From this equation it is concluded that the total electronic energy is not equal to the sum of H–H pair energies. Finally, a semi-empirical extension of the London equation—the LEPS method—allows for a simple but somewhat crude construction of potential energy surfaces.
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44

Sax, Alexander F. Potential Energy Surfaces. Island Press, 1998.

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45

Lawley, K. P. Potential Energy Surfaces. Wiley & Sons, Incorporated, John, 2009.

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46

Lawley, K. P. Potential Energy Surfaces. Wiley & Sons, Incorporated, John, 2007.

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47

Computed potential energy surfaces for chemical reactions. Sunnyvale, CA: Floret Institute, 1991.

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48

Properties of Chemically Interesting Potential Energy Surfaces. Island Press, 1991.

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49

Heidrich, Dietmar, Wolfgang Kliesch, and Wolfgang Quapp. Properties of Chemically Interesting Potential Energy Surfaces. Springer London, Limited, 2012.

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50

Advances in Chemical Physics, Potential Energy Surfaces. Wiley & Sons Canada, Limited, John, 2009.

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