English

• 
• 1. [1]

     (1) Hippler, M. Quantum chemical study and infrared spectroscopy of hydrogen-bonded CHCl₃-NH₃ in the gas phase. J. Chem. Phys. 2007, 127, 084306-10.(1) Hippler, M. Quantum chemical study and infrared spectroscopy of hydrogen-bonded CHCl₃-NH₃ in the gas phase. J. Chem. Phys. 2007, 127, 084306-10.

  2. [2]

     (2) Chen, Y.; Wen, Y.; Zhou, J.; Zhou, Q.; Jan Vymazal, J.; Kuschk, P. Transformation of chloroform in model treatment wetlands: from mass balance to microbial analysis. Environ. Sci. Technol. 2015, 49, 6198-6205.(2) Chen, Y.; Wen, Y.; Zhou, J.; Zhou, Q.; Jan Vymazal, J.; Kuschk, P. Transformation of chloroform in model treatment wetlands: from mass balance to microbial analysis. Environ. Sci. Technol. 2015, 49, 6198-6205.

  3. [3]

     (3) Yan, T. H.; Tsai, C. C.; Chien, C. T.; Cho, C. C.; Huang, P. C. Dichloromethane activation. Direct methylenation of ketones and aldehydes with CH₂Cl₂ promoted by Mg/TiCl₄/THF. Org. Lett. 2004, 6, 4961-4963.(3) Yan, T. H.; Tsai, C. C.; Chien, C. T.; Cho, C. C.; Huang, P. C. Dichloromethane activation. Direct methylenation of ketones and aldehydes with CH₂Cl₂ promoted by Mg/TiCl₄/THF. Org. Lett. 2004, 6, 4961-4963.

  4. [4]

     (4) Abou-Chahine, F.; Preston, T. J.; Dunning, G. T.; Orr-Ewing, A. J.; Greetham, G. M.; Clark, I. P.; Towrie, M.; Reid, S. A. Photoisomerization and photoinduced reactions in liquid CCl₄ and CHCl₃. J. Phys. Chem. A 2013, 117, 13388-13398.(4) Abou-Chahine, F.; Preston, T. J.; Dunning, G. T.; Orr-Ewing, A. J.; Greetham, G. M.; Clark, I. P.; Towrie, M.; Reid, S. A. Photoisomerization and photoinduced reactions in liquid CCl₄ and CHCl₃. J. Phys. Chem. A 2013, 117, 13388-13398.

  5. [5]

     (5) Vila, F. D.; Strubbe, D. A.; Takimoto, Y.; Andrade, X.; Rubio, A.; Louie, S. G.; Rehr, J. J. Basis set effects on the hyperpolarizability of CHCl₃: Gaussian-type orbitals, numerical basis sets and real-space grids. J. Chem. Phys. 2010, 133, 034111-10.(5) Vila, F. D.; Strubbe, D. A.; Takimoto, Y.; Andrade, X.; Rubio, A.; Louie, S. G.; Rehr, J. J. Basis set effects on the hyperpolarizability of CHCl₃: Gaussian-type orbitals, numerical basis sets and real-space grids. J. Chem. Phys. 2010, 133, 034111-10.

  6. [6]

     (6) Lemieux, P. M.; Ryan. J. V.; Bass, C.; Barat, R. Emissions of trace products of incomplete combustion from a pilot-scale incinerator secondary combustion chamber. J. Air Waste Manag. Assoc. 1996, 46, 309-316.(6) Lemieux, P. M.; Ryan. J. V.; Bass, C.; Barat, R. Emissions of trace products of incomplete combustion from a pilot-scale incinerator secondary combustion chamber. J. Air Waste Manag. Assoc. 1996, 46, 309-316.

  7. [7]

     (7) Preis, S.; Kallas, J. Gas-phase degradation of CCl₄, CHCl₃ and CH₂Cl₂ over metallic Fe. Environ. Chem. Lett. 2004, 2, 9-13.(7) Preis, S.; Kallas, J. Gas-phase degradation of CCl₄, CHCl₃ and CH₂Cl₂ over metallic Fe. Environ. Chem. Lett. 2004, 2, 9-13.

  8. [8]

     (8) Dias, H. V. R.; Browning, R. G.; Polach, S. A.; Diyabalanage, H. V. K.; Lovely, C. J. Activation of alkyl halides via a silver-catalyzed carbene insertion process. J. Am. Chem. Soc. 2003, 125, 9270-9271.(8) Dias, H. V. R.; Browning, R. G.; Polach, S. A.; Diyabalanage, H. V. K.; Lovely, C. J. Activation of alkyl halides via a silver-catalyzed carbene insertion process. J. Am. Chem. Soc. 2003, 125, 9270-9271.

  9. [9]

     (9) Csok, Z.; Vechorkin, O.; Harkins, S. B.; Scopelliti, R.; Hu, X. Nickel complexes of a pincer NN₂ ligand: multiple carbon-chloride activation of CH₂Cl₂ and CHCl₃ leads to selective carbon-carbon bond formation. J. Am. Chem. Soc. 2008, 130, 8156-8157.(9) Csok, Z.; Vechorkin, O.; Harkins, S. B.; Scopelliti, R.; Hu, X. Nickel complexes of a pincer NN₂ ligand: multiple carbon-chloride activation of CH₂Cl₂ and CHCl₃ leads to selective carbon-carbon bond formation. J. Am. Chem. Soc. 2008, 130, 8156-8157.

  10. [10]

      (10) Li, G. B.; Liu, J. M.; Yu, Z. Q.; Wang, W.; Su, C. Y. Assembly of a 1D coordination polymer through in situ formation of a new ligand by double C-C coupling on CHCl₃ under solvothermal conditions. Inorg. Chem. 2009, 48, 8659-8661.(10) Li, G. B.; Liu, J. M.; Yu, Z. Q.; Wang, W.; Su, C. Y. Assembly of a 1D coordination polymer through in situ formation of a new ligand by double C-C coupling on CHCl₃ under solvothermal conditions. Inorg. Chem. 2009, 48, 8659-8661.

  11. [11]

      (11) Lin, K. W.; Tsai, C. H.; Hsieh, I. L.; Yan, T. H. New, general, and practical preparation of methyl ketones via the direct coupling of amides with CH₂Cl₂ promoted by TiCl₄/Mg. Org. Lett. 2008, 10, 1927-1930.(11) Lin, K. W.; Tsai, C. H.; Hsieh, I. L.; Yan, T. H. New, general, and practical preparation of methyl ketones via the direct coupling of amides with CH₂Cl₂ promoted by TiCl₄/Mg. Org. Lett. 2008, 10, 1927-1930.

  12. [12]

      (12) Lyon, J. T.; Andrews, L. An infrared spectroscopic and theoretical study of group 4 transition metal CH₂=MCl₂ and HC÷MCl₃ complexes. Organometallics 2007, 26, 332-339.(12) Lyon, J. T.; Andrews, L. An infrared spectroscopic and theoretical study of group 4 transition metal CH₂=MCl₂ and HC÷MCl₃ complexes. Organometallics 2007, 26, 332-339.

  13. [13]

      (13) Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Oritz, J. V.; Stefanov, B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian, Inc., Wallingford CT 2004, Gaussian 03, Revision C.02.(13) Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Oritz, J. V.; Stefanov, B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian, Inc., Wallingford CT 2004, Gaussian 03, Revision C.02.

  14. [14]

      (14) Perdew, J. P.; Burke, K.; Wang, Y. Generalized gradient approximation for the exchange-correlation hole of a many-electron system. Phys. Rev. B 1996, 54, 16533-16533.(14) Perdew, J. P.; Burke, K.; Wang, Y. Generalized gradient approximation for the exchange-correlation hole of a many-electron system. Phys. Rev. B 1996, 54, 16533-16533.

  15. [15]

      (15) Burke, K.; Perdew, J. P.; Wang, Y. Electronic Density Functional Theory: Recent Progress and New Directions, ed. Donson, J. F.; Vignale, G.; Das M. P. Plenum Press, New York 1998.(15) Burke, K.; Perdew, J. P.; Wang, Y. Electronic Density Functional Theory: Recent Progress and New Directions, ed. Donson, J. F.; Vignale, G.; Das M. P. Plenum Press, New York 1998.

  16. [16]

      (16) Becke, A. D. Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A 1988, 38, 3098-3100.(16) Becke, A. D. Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A 1988, 38, 3098-3100.

  17. [17]

      (17) Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Atoms, molecules, solids, and surfaces: applications of the generalized gradient approximation for exchange and correlation. Phys. Rev. B 1992, 46, 6671-6687.(17) Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Atoms, molecules, solids, and surfaces: applications of the generalized gradient approximation for exchange and correlation. Phys. Rev. B 1992, 46, 6671-6687.

  18. [18]

      (18) Gonzalez, C.; Schlegel, H. B. Reaction path following in mass-weighted internal coordinates. J. Phys. Chem. 1990, 94, 5523-5527.(18) Gonzalez, C.; Schlegel, H. B. Reaction path following in mass-weighted internal coordinates. J. Phys. Chem. 1990, 94, 5523-5527.

  19. [19]

      (19) Gonzalez, C.; Schlegel, H. B. An improved algorithm for reaction path following. J. Chem. Phys. 1989, 90, 2154-2159.(19) Gonzalez, C.; Schlegel, H. B. An improved algorithm for reaction path following. J. Chem. Phys. 1989, 90, 2154-2159.

  20. [20]

      (20) Pandey, L. B.; Aikens, C. M. Theoretical investigation of the electrochemical mechanism of water splitting on a titanium oxide cluster model. J. Phys. Chem. A 2012, 116, 526-535.(20) Pandey, L. B.; Aikens, C. M. Theoretical investigation of the electrochemical mechanism of water splitting on a titanium oxide cluster model. J. Phys. Chem. A 2012, 116, 526-535.

  21. [21]

      (21) Schwarz, A. D.; Nova, A.; Clot, E.; Mountford, P. Titanium tert-butoxyimido compounds. Inorg. Chem. 2011, 50, 12155-12171.(21) Schwarz, A. D.; Nova, A.; Clot, E.; Mountford, P. Titanium tert-butoxyimido compounds. Inorg. Chem. 2011, 50, 12155-12171.

  22. [22]

      (22) Flisak, Z. Thermodynamics of titanium and vanadium reduction in non-aqueous environment calculated at various levels of theory. J. Phys. Chem. A 2012, 116, 1464-1468.(22) Flisak, Z. Thermodynamics of titanium and vanadium reduction in non-aqueous environment calculated at various levels of theory. J. Phys. Chem. A 2012, 116, 1464-1468.

  23. [23]

      (23) Becke, A. D. Density-functional thermochemistry. III. The role of exact exchange. J. Chem. Phys. 1993, 98, 5648-5652.(23) Becke, A. D. Density-functional thermochemistry. III. The role of exact exchange. J. Chem. Phys. 1993, 98, 5648-5652.

•