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Volumn 117, Issue 47, 2013, Pages 12419-12428

IR and UV spectroscopy of vapor-phase jet-cooled ionic liquid [emim] +[Tf2N]-: Ion pair structure and photodissociation dynamics

Author keywords

[No Author keywords available]

Indexed keywords

ACTION SPECTROSCOPY; GAS-PHASE CLUSTERS; MULTIPLE CONFORMATIONS; PHOTODISSOCIATION DYNAMICS; PHOTOFRAGMENTATION; SUPERSONIC EXPANSIONS; THEORETICAL SPECTRA; TIME OF FLIGHT MASS SPECTROMETRY;

EID: 84888985545     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp409670n     Document Type: Article
Times cited : (48)

References (53)
  • 1
    • 38349047179 scopus 로고    scopus 로고
    • Applications of Ionic Liquids in the Chemical Industry
    • Plechkova, N. V.; Seddon, K. R. Applications of Ionic Liquids in the Chemical Industry Chem. Soc. Rev. 2008, 37, 123-150
    • (2008) Chem. Soc. Rev. , vol.37 , pp. 123-150
    • Plechkova, N.V.1    Seddon, K.R.2
  • 3
    • 79951977303 scopus 로고    scopus 로고
    • Ionic Liquid Dual-Mode Spacecraft Propulsion Assessment
    • Donius, B. R.; Rovey, J. L. Ionic Liquid Dual-Mode Spacecraft Propulsion Assessment J. Spacecr. Rockets 2011, 48, 110-123
    • (2011) J. Spacecr. Rockets , vol.48 , pp. 110-123
    • Donius, B.R.1    Rovey, J.L.2
  • 7
    • 83055197003 scopus 로고    scopus 로고
    • Synthesis and Promising Properties of a New Family of High-Density Energetic Salts of 5-Nitro-3-trinitromethyl-1H-1,2,4-triazole and 5,5′-Bis(trinitromethyl)-3,3′-azo-1H-1,2,4-triazole
    • Thottempudi, V.; Shreeve, J. M. Synthesis and Promising Properties of a New Family of High-Density Energetic Salts of 5-Nitro-3-trinitromethyl-1H-1,2,4- triazole and 5,5′-Bis(trinitromethyl)-3,3′-azo-1H-1,2,4-triazole J. Am. Chem. Soc. 2011, 133, 19982-19992
    • (2011) J. Am. Chem. Soc. , vol.133 , pp. 19982-19992
    • Thottempudi, V.1    Shreeve, J.M.2
  • 9
    • 77950431458 scopus 로고    scopus 로고
    • Spotlight on Ionic Liquids
    • Castner, J. E. W.; Wishart, J. F. Spotlight on Ionic Liquids J. Chem. Phys. 2010, 132, 120901-9
    • (2010) J. Chem. Phys. , vol.132 , pp. 120901-120909
    • Castner, J.E.W.1    Wishart, J.F.2
  • 10
    • 77955442341 scopus 로고    scopus 로고
    • Towards a Molecular Understanding of Cation-Anion Interactions - Probing the Electronic Structure of Imidazolium Ionic Liquids by NMR Spectroscopy, X-Ray Photoelectron Spectroscopy and Theoretical Calculations
    • Cremer, T.; Kolbeck, C.; Lovelock, K. R. J.; Paape, N.; Wölfel, R.; Schulz, P. S.; Wasserscheid, P.; Weber, H.; Thar, J.; Kirchner, B.; Maier, F.; Steinrück, H.-P. Towards a Molecular Understanding of Cation-Anion Interactions-Probing the Electronic Structure of Imidazolium Ionic Liquids by NMR Spectroscopy, X-Ray Photoelectron Spectroscopy and Theoretical Calculations Chem.-Eur. J. 2010, 16, 9018-9033
    • (2010) Chem. - Eur. J. , vol.16 , pp. 9018-9033
    • Cremer, T.1    Kolbeck, C.2    Lovelock, K.R.J.3    Paape, N.4    Wölfel, R.5    Schulz, P.S.6    Wasserscheid, P.7    Weber, H.8    Thar, J.9    Kirchner, B.10    Maier, F.11    Steinrück, H.-P.12
  • 11
    • 33847159883 scopus 로고    scopus 로고
    • Application of Density Functional Theory and Vibrational Spectroscopy toward the Rational Design of Ionic Liquids
    • Katsyuba, S. A.; Zvereva, E. E.; Vidiš, A.; Dyson, P. J. Application of Density Functional Theory and Vibrational Spectroscopy toward the Rational Design of Ionic Liquids J. Phys. Chem. A 2006, 111, 352-370
    • (2006) J. Phys. Chem. A , vol.111 , pp. 352-370
    • Katsyuba, S.A.1    Zvereva, E.E.2    Vidiš, A.3    Dyson, P.J.4
  • 12
    • 77149167251 scopus 로고    scopus 로고
    • Ionicity in Ionic Liquids: Correlation with Ionic Structure and Physicochemical Properties
    • Ueno, K.; Tokuda, H.; Watanabe, M. Ionicity in Ionic Liquids: Correlation with Ionic Structure and Physicochemical Properties Phys. Chem. Chem. Phys. 2010, 12, 1649-1658
    • (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 1649-1658
    • Ueno, K.1    Tokuda, H.2    Watanabe, M.3
  • 13
    • 77958554016 scopus 로고    scopus 로고
    • The Role of the C2 Position in Interionic Interactions of Imidazolium Based Ionic Liquids: A Vibrational and NMR Spectroscopic Study
    • Noack, K.; Schulz, P. S.; Paape, N.; Kiefer, J.; Wasserscheid, P.; Leipertz, A. The Role of the C2 Position in Interionic Interactions of Imidazolium Based Ionic Liquids: A Vibrational and NMR Spectroscopic Study Phys. Chem. Chem. Phys. 2010, 12, 14153-14161
    • (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 14153-14161
    • Noack, K.1    Schulz, P.S.2    Paape, N.3    Kiefer, J.4    Wasserscheid, P.5    Leipertz, A.6
  • 14
    • 24744442202 scopus 로고    scopus 로고
    • Magnitude and Directionality of Interaction in Ion Pairs of Ionic Liquids: Relationship with Ionic Conductivity
    • Tsuzuki, S.; Tokuda, H.; Hayamizu, K.; Watanabe, M. Magnitude and Directionality of Interaction in Ion Pairs of Ionic Liquids: Relationship with Ionic Conductivity J. Phys. Chem. B 2005, 109, 16474-16481
    • (2005) J. Phys. Chem. B , vol.109 , pp. 16474-16481
    • Tsuzuki, S.1    Tokuda, H.2    Hayamizu, K.3    Watanabe, M.4
  • 15
    • 66649129017 scopus 로고    scopus 로고
    • New Interpretation of the CH Stretching Vibrations in Imidazolium-Based Ionic Liquids
    • Lasségues, J.-C.; Grondin, J.; Cavagnat, D.; Johansson, P. New Interpretation of the CH Stretching Vibrations in Imidazolium-Based Ionic Liquids J. Phys. Chem. A 2009, 113, 6419-6421
    • (2009) J. Phys. Chem. A , vol.113 , pp. 6419-6421
    • Lasségues, J.-C.1    Grondin, J.2    Cavagnat, D.3    Johansson, P.4
  • 17
    • 73349111937 scopus 로고    scopus 로고
    • Spectroscopic Evidence for an Enhanced Anion-Cation Interaction from Hydrogen Bonding in Pure Imidazolium Ionic Liquids
    • Wulf, A.; Fumino, K.; Ludwig, R. Spectroscopic Evidence for an Enhanced Anion-Cation Interaction from Hydrogen Bonding in Pure Imidazolium Ionic Liquids Angew. Chem., Int. Ed. 2010, 49, 449-453
    • (2010) Angew. Chem., Int. Ed. , vol.49 , pp. 449-453
    • Wulf, A.1    Fumino, K.2    Ludwig, R.3
  • 18
    • 53549132818 scopus 로고    scopus 로고
    • The Cation-Anion Interaction in Ionic Liquids Probed by Far-Infrared Spectroscopy
    • Fumino, K.; Wulf, A.; Ludwig, R. The Cation-Anion Interaction in Ionic Liquids Probed by Far-Infrared Spectroscopy Angew. Chem., Int. Ed. 2008, 47, 3830-3834
    • (2008) Angew. Chem., Int. Ed. , vol.47 , pp. 3830-3834
    • Fumino, K.1    Wulf, A.2    Ludwig, R.3
  • 19
    • 77952100635 scopus 로고    scopus 로고
    • The Role of Hydrogen Atoms in Interactions Involving Imidazolium-Based Ionic Liquids
    • Kempter, V.; Kirchner, B. The Role of Hydrogen Atoms in Interactions Involving Imidazolium-Based Ionic Liquids J. Mol. Struct. 2010, 972, 22-34
    • (2010) J. Mol. Struct. , vol.972 , pp. 22-34
    • Kempter, V.1    Kirchner, B.2
  • 20
    • 77749248900 scopus 로고    scopus 로고
    • Probing Electron Density of H-Bonding between Cation-Anion of Imidazolium-Based Ionic Liquids with Different Anions by Vibrational Spectroscopy
    • Gao, Y.; Zhang, L.; Wang, Y.; Li, H. Probing Electron Density of H-Bonding between Cation-Anion of Imidazolium-Based Ionic Liquids with Different Anions by Vibrational Spectroscopy J. Phys. Chem. B 2010, 114, 2828-2833
    • (2010) J. Phys. Chem. B , vol.114 , pp. 2828-2833
    • Gao, Y.1    Zhang, L.2    Wang, Y.3    Li, H.4
  • 21
    • 42049106502 scopus 로고    scopus 로고
    • First Observation of the Matrix-Isolated FTIR Spectrum of Vaporized Ionic Liquid: An Example of EmimTFSI, 1-Ethyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide
    • Akai, N.; Kawai, A.; Shibuya, K. First Observation of the Matrix-Isolated FTIR Spectrum of Vaporized Ionic Liquid: An Example of EmimTFSI, 1-Ethyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide Chem. Lett. 2008, 37, 256-257
    • (2008) Chem. Lett. , vol.37 , pp. 256-257
    • Akai, N.1    Kawai, A.2    Shibuya, K.3
  • 22
    • 78649822894 scopus 로고    scopus 로고
    • Ion-Pair Structure of Vaporized Ionic Liquid Studied by Matrix-Isolation FTIR Spectroscopy with DFT Calculations: A Case of 1-Ethyl-3-methylimidazolium Trifluoromethanesulfonate
    • Akai, N.; Kawai, A.; Shibuya, K. Ion-Pair Structure of Vaporized Ionic Liquid Studied by Matrix-Isolation FTIR Spectroscopy with DFT Calculations: A Case of 1-Ethyl-3-methylimidazolium Trifluoromethanesulfonate J. Phys. Chem. A 2010, 114, 12662-12666
    • (2010) J. Phys. Chem. A , vol.114 , pp. 12662-12666
    • Akai, N.1    Kawai, A.2    Shibuya, K.3
  • 23
    • 65249094909 scopus 로고    scopus 로고
    • Cryogenic Neon Matrix-Isolation FTIR Spectroscopy of Evaporated Ionic Liquids: Geometrical Structure of Cation- Anion 1: 1 Pair in the Gas Phase
    • Akai, N.; Parazs, D.; Kawai, A.; Shibuya, K. Cryogenic Neon Matrix-Isolation FTIR Spectroscopy of Evaporated Ionic Liquids: Geometrical Structure of Cation- Anion 1: 1 Pair in the Gas Phase J. Phys. Chem. B 2009, 113, 4756-4762
    • (2009) J. Phys. Chem. B , vol.113 , pp. 4756-4762
    • Akai, N.1    Parazs, D.2    Kawai, A.3    Shibuya, K.4
  • 24
    • 84876549013 scopus 로고    scopus 로고
    • Are Ionic Liquids Pairwise in Gas Phase? A Cluster Approach and in situ IR Study
    • Dong, K.; Zhao, L.; Wang, Q.; Song, Y.; Zhang, S. Are Ionic Liquids Pairwise in Gas Phase? A Cluster Approach and in situ IR Study Phys. Chem. Chem. Phys. 2013, 15, 6034-6040
    • (2013) Phys. Chem. Chem. Phys. , vol.15 , pp. 6034-6040
    • Dong, K.1    Zhao, L.2    Wang, Q.3    Song, Y.4    Zhang, S.5
  • 26
    • 84867167216 scopus 로고    scopus 로고
    • Ultraviolet Photoionization Efficiency of the Vaporized Ionic Liquid 1-Butyl-3-methylimidazolium Tricyanomethanide: Direct Detection of the Intact Ion Pair
    • Chambreau, S. D.; Vaghjiani, G. L.; Koh, C. J.; Golan, A.; Leone, S. R. Ultraviolet Photoionization Efficiency of the Vaporized Ionic Liquid 1-Butyl-3-methylimidazolium Tricyanomethanide: Direct Detection of the Intact Ion Pair J. Phys. Chem. Lett. 2012, 3, 2910-2914
    • (2012) J. Phys. Chem. Lett. , vol.3 , pp. 2910-2914
    • Chambreau, S.D.1    Vaghjiani, G.L.2    Koh, C.J.3    Golan, A.4    Leone, S.R.5
  • 28
    • 84865604490 scopus 로고    scopus 로고
    • Simultaneous Ion-Pair Photodissociation and Dissociative Ionization of an Ionic Liquid: Velocity Map Imaging of Vacuum-Ultraviolet-Excited 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide
    • Koh, C. J.; Leone, S. R. Simultaneous Ion-Pair Photodissociation and Dissociative Ionization of an Ionic Liquid: Velocity Map Imaging of Vacuum-Ultraviolet-Excited 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide Mol. Phys. 2012, 110, 1705-1712
    • (2012) Mol. Phys. , vol.110 , pp. 1705-1712
    • Koh, C.J.1    Leone, S.R.2
  • 31
    • 84871379080 scopus 로고    scopus 로고
    • Gas Phase Electronic Absorption Spectroscopy of Room Temperature Ionic Liquids: N-Ethyl-3-methylpyridinium or 1-Butyl-3-methylimidazolium Cation with Bis(trifluoromethylsulfonyl)amido Anion
    • Ogura, T.; Akai, N.; Kawai, A.; Shibuya, K. Gas Phase Electronic Absorption Spectroscopy of Room Temperature Ionic Liquids: N-Ethyl-3- methylpyridinium or 1-Butyl-3-methylimidazolium Cation with Bis(trifluoromethylsulfonyl)amido Anion Chem. Phys. Lett. 2013, 555, 110-114
    • (2013) Chem. Phys. Lett. , vol.555 , pp. 110-114
    • Ogura, T.1    Akai, N.2    Kawai, A.3    Shibuya, K.4
  • 32
    • 33846581456 scopus 로고    scopus 로고
    • The Structure of Imidazolium-Based Ionic Liquids: Insights from Ion-Pair Interactions
    • Hunt, P. A.; Gould, I. R.; Kirchner, B. The Structure of Imidazolium-Based Ionic Liquids: Insights from Ion-Pair Interactions Aust. J. Chem. 2007, 60, 9-14
    • (2007) Aust. J. Chem. , vol.60 , pp. 9-14
    • Hunt, P.A.1    Gould, I.R.2    Kirchner, B.3
  • 33
    • 84884523559 scopus 로고    scopus 로고
    • Helium Nanodroplet Isolation and Infrared Spectrscopy of the Isolated Ion-Pair 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide
    • Obi, E. I.; Leavitt, C. M.; Raston, P. L.; Moradi, C. P.; Flynn, S. D.; Vaghjiani, G. L.; Boatz, J. A.; Chambreau, S. D.; Douberly, G. E. Helium Nanodroplet Isolation and Infrared Spectrscopy of the Isolated Ion-Pair 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide J. Phys. Chem. A 2013, 117, 9047-9056
    • (2013) J. Phys. Chem. A , vol.117 , pp. 9047-9056
    • Obi, E.I.1    Leavitt, C.M.2    Raston, P.L.3    Moradi, C.P.4    Flynn, S.D.5    Vaghjiani, G.L.6    Boatz, J.A.7    Chambreau, S.D.8    Douberly, G.E.9
  • 34
    • 55549112217 scopus 로고    scopus 로고
    • Investigations with Infrared Spectroscopy on Films of the Ionic Liquid [Emim]Tf2N
    • Höfft, O.; Bahr, S.; Kempter, V. Investigations with Infrared Spectroscopy on Films of the Ionic Liquid [Emim]Tf2N Langmuir 2008, 24, 11562-11566
    • (2008) Langmuir , vol.24 , pp. 11562-11566
    • Höfft, O.1    Bahr, S.2    Kempter, V.3
  • 35
    • 34548137766 scopus 로고    scopus 로고
    • Theoretical Analysis of the Hydrogen Bond of Imidazolium C2-H with Anions
    • Tsuzuki, S.; Tokuda, H.; Mikami, M. Theoretical Analysis of the Hydrogen Bond of Imidazolium C2-H with Anions Phys. Chem. Chem. Phys. 2007, 9, 4780-4784
    • (2007) Phys. Chem. Chem. Phys. , vol.9 , pp. 4780-4784
    • Tsuzuki, S.1    Tokuda, H.2    Mikami, M.3
  • 36
    • 51049108799 scopus 로고    scopus 로고
    • Isothermogravimetric Determination of the Enthalpies of Vaporization of 1-Alkyl-3-methylimidazolium Ionic Liquids
    • Luo, H. M.; Baker, G. A.; Dai, S. Isothermogravimetric Determination of the Enthalpies of Vaporization of 1-Alkyl-3-methylimidazolium Ionic Liquids J. Phys. Chem. B 2008, 112, 10077-10081
    • (2008) J. Phys. Chem. B , vol.112 , pp. 10077-10081
    • Luo, H.M.1    Baker, G.A.2    Dai, S.3
  • 37
    • 33745458183 scopus 로고    scopus 로고
    • Experimental Vapor Pressures of 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)Imides and a Correlation Scheme for Estimation of Vaporization Enthalpies of Ionic Liquids
    • Zaitsau, D. H.; Kabo, G. J.; Strechan, A. A.; Paulechka, Y. U.; Tschersich, A.; Verevkin, S. P.; Heintz, A. Experimental Vapor Pressures of 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)Imides and a Correlation Scheme for Estimation of Vaporization Enthalpies of Ionic Liquids J. Phys. Chem. A 2006, 110, 7303-7306
    • (2006) J. Phys. Chem. A , vol.110 , pp. 7303-7306
    • Zaitsau, D.H.1    Kabo, G.J.2    Strechan, A.A.3    Paulechka, Y.U.4    Tschersich, A.5    Verevkin, S.P.6    Heintz, A.7
  • 38
    • 75249099015 scopus 로고    scopus 로고
    • Reply to the "comment on 'New Interpretation of the CH Stretching Vibrations in Imidazolium-Based Ionic Liquids'"
    • Lasségues, J.-C.; Grondin, J.; Cavagnat, D.; Johansson, P. Reply to the "Comment on 'New Interpretation of the CH Stretching Vibrations in Imidazolium-Based Ionic Liquids'" J. Phys. Chem. A 2009, 114, 687-688
    • (2009) J. Phys. Chem. A , vol.114 , pp. 687-688
    • Lasségues, J.-C.1    Grondin, J.2    Cavagnat, D.3    Johansson, P.4
  • 39
    • 75249100910 scopus 로고    scopus 로고
    • Comment on "new Interpretation of the CH Stretching Vibrations in Imidazolium-Based Ionic Liquids
    • Wulf, A.; Fumino, K.; Ludwig, R. Comment on "New Interpretation of the CH Stretching Vibrations in Imidazolium-Based Ionic Liquids J. Phys. Chem. A 2009, 114, 685-686
    • (2009) J. Phys. Chem. A , vol.114 , pp. 685-686
    • Wulf, A.1    Fumino, K.2    Ludwig, R.3
  • 40
    • 0035807680 scopus 로고    scopus 로고
    • Laser Spectroscopy of Jet-Cooled Biomolecules and Their Water-Containing Clusters: Water Bridges and Molecular Conformation
    • Zwier, T. S. Laser Spectroscopy of Jet-Cooled Biomolecules and Their Water-Containing Clusters: Water Bridges and Molecular Conformation J. Phys. Chem. A 2001, 105, 8827-8839
    • (2001) J. Phys. Chem. A , vol.105 , pp. 8827-8839
    • Zwier, T.S.1
  • 41
    • 33645829307 scopus 로고    scopus 로고
    • Laser Probes of Conformational Isomerization in Flexible Molecules and Complexes
    • Zwier, T. S. Laser Probes of Conformational Isomerization in Flexible Molecules and Complexes J. Phys. Chem. A 2006, 110, 4133-4150
    • (2006) J. Phys. Chem. A , vol.110 , pp. 4133-4150
    • Zwier, T.S.1
  • 42
    • 1242284602 scopus 로고    scopus 로고
    • Direct Measurement of Energy Thresholds to Conformational Isomerization in Tryptamine
    • Dian, B. C.; Clarkson, J. R.; Zwier, T. S. Direct Measurement of Energy Thresholds to Conformational Isomerization in Tryptamine Science 2004, 303, 1169
    • (2004) Science , vol.303 , pp. 1169
    • Dian, B.C.1    Clarkson, J.R.2    Zwier, T.S.3
  • 43
    • 77953919979 scopus 로고    scopus 로고
    • Direct UV-Spectroscopic Measurement of Selected Ionic-Liquid Vapors
    • Wang, C.; Luo, H.; Li, H.; Dai, S. Direct UV-Spectroscopic Measurement of Selected Ionic-Liquid Vapors Phys. Chem. Chem. Phys. 2010, 12, 7246-7250
    • (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 7246-7250
    • Wang, C.1    Luo, H.2    Li, H.3    Dai, S.4
  • 44
    • 33749454532 scopus 로고    scopus 로고
    • High Resolution Photofragment Translational Spectroscopy Studies of the Near Ultraviolet Photolysis of Imidazole
    • Devine, A. L.; Cronin, B.; Nix, M. G.; Ashfold, M. N. High Resolution Photofragment Translational Spectroscopy Studies of the Near Ultraviolet Photolysis of Imidazole J. Chem. Phys. 2006, 125, 184302
    • (2006) J. Chem. Phys. , vol.125 , pp. 184302
    • Devine, A.L.1    Cronin, B.2    Nix, M.G.3    Ashfold, M.N.4
  • 45
    • 58749084497 scopus 로고    scopus 로고
    • UV Excitation and Radiationless Deactivation of Imidazole
    • Barbatti, M.; Lischka, H.; Salzmann, S.; Marian, C. M. UV Excitation and Radiationless Deactivation of Imidazole J. Chem. Phys. 2009, 130, 034305
    • (2009) J. Chem. Phys. , vol.130 , pp. 034305
    • Barbatti, M.1    Lischka, H.2    Salzmann, S.3    Marian, C.M.4
  • 47
    • 43049141516 scopus 로고    scopus 로고
    • The M06 Suite of Density Functionals for Main Group Thermochemistry, Thermochemical Kinetics, Noncovalent Interactions, Excited States, and Transition Elements: Two New Functionals and Systematic Testing of Four M06-Class Functionals and 12 Other Functionals
    • Zhao, Y.; Truhlar, D. The M06 Suite of Density Functionals for Main Group Thermochemistry, Thermochemical Kinetics, Noncovalent Interactions, Excited States, and Transition Elements: Two New Functionals and Systematic Testing of Four M06-Class Functionals and 12 Other Functionals Theor. Chem. Acc. 2008, 120, 215-241
    • (2008) Theor. Chem. Acc. , vol.120 , pp. 215-241
    • Zhao, Y.1    Truhlar, D.2
  • 49
    • 4143095330 scopus 로고
    • Electron Affinities of the First-Row Atoms Revisited. Systematic Basis Sets and Wave Functions
    • Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. Electron Affinities of the First-Row Atoms Revisited. Systematic Basis Sets and Wave Functions J. Chem. Phys. 1992, 96, 6796
    • (1992) J. Chem. Phys. , vol.96 , pp. 6796
    • Kendall, R.A.1    Dunning Jr., T.H.2    Harrison, R.J.3
  • 50
    • 0035366784 scopus 로고    scopus 로고
    • Gaussian Basis Sets for Use in Correlated Molecular Calculations. X. The Atoms Aluminum through Argon Revisited
    • Dunning, T. H., Jr.; Peterson, K. A.; Wilson, A. K. Gaussian Basis Sets for Use in Correlated Molecular Calculations. X. The Atoms Aluminum through Argon Revisited J. Chem. Phys. 2001, 114, 9244
    • (2001) J. Chem. Phys. , vol.114 , pp. 9244
    • Dunning Jr., T.H.1    Peterson, K.A.2    Wilson, A.K.3
  • 52
    • 33746614482 scopus 로고
    • Gaussian Basis Sets for Use in Correlated Molecular Calculations. I. The Atoms Boron through Neon and Hydrogen
    • Dunning, T. H., Jr. Gaussian Basis Sets for Use in Correlated Molecular Calculations. I. The Atoms Boron through Neon and Hydrogen J. Chem. Phys. 1989, 90, 1007-1023
    • (1989) J. Chem. Phys. , vol.90 , pp. 1007-1023
    • Dunning Jr., T.H.1
  • 53
    • 0346850728 scopus 로고    scopus 로고
    • A Derivation of the Frozen-Orbital Unrestricted Open-Shell and Restricted Closed-Shell Second-Order Perturbation Theory Analytic Gradient Expressions
    • Aikens, C. M.; Webb, S. P.; Bell, R. L.; Fletcher, G. D.; Schmidt, M. W.; Gordon, M. S. A Derivation of the Frozen-Orbital Unrestricted Open-Shell and Restricted Closed-Shell Second-Order Perturbation Theory Analytic Gradient Expressions Theor. Chem. Acc. 2003, 110, 233-253
    • (2003) Theor. Chem. Acc. , vol.110 , pp. 233-253
    • Aikens, C.M.1    Webb, S.P.2    Bell, R.L.3    Fletcher, G.D.4    Schmidt, M.W.5    Gordon, M.S.6


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