Advertisement

Computational Study of UV-Induced Excitations of DNA Fragments

  • Manoj k. Shukla
  • Jerzy Leszczynski
Chapter
Part of the Challenges and Advances In Computational Chemistry and Physics book series (COCH, volume 5)

Abstract

The recent experimental and theoretical results in elucidating the structures and properties of ultraviolet (UV)-induced electronic excitations of DNA fragments and related analogs are discussed. Although, the electronic absorption maxima of nucleic acid bases are in the UV region of the energy spectrum, these genetic molecules are highly photostable. The observed photostability is the outcome of the extremely short excited state life-times. This fundamental characteristic of nucleic acid bases on the other hand is attained by the ultrafast nonradiative decay through internal conversion. Recent theoretical investigations unambiguously show that excited state geometries are generally nonplanar, though the amount of nonplanarity depends on the level of theory used in the calculation. It is also evident that conical intersections involving ground and excited state potential energy surfaces are instrumental for such nonradiative deactivation. Though, theory and experiments are complementary to each other, but the experimental progress in studying excited state properties are far ahead compared to the theoretical methods. For example, it is still very challenging for an extensive investigation of excited state properties of systems like nucleic acid bases at multi-configurational theoretical levels and with large basis sets augmented with diffuse functions. The theoretical and computational bottleneck impedes the investigation of effect of stacking interaction, which is of the fundamental importance for DNA, at the reliable theoretical level. However, we hope that with the theoretical and computational advances such investigations will be possible in near future

Keywords

DNA Fragments Base Pair Nonradiative Decay Excited State Ab Initio 
This is a preview of subscription content, log in to check access.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

Reference

  1. 1.
    Avery OT, MacLeod CM, McCarthy M (1944) J Exp Med 79:137CrossRefGoogle Scholar
  2. 2.
    Hershey A, Chase M (1952) Cold Spring Harb Symp Quant Biol 16: 445Google Scholar
  3. 3.
    Wilkins MHF, Stokes AR, Wilson HR (1953) Nature 171: 738.CrossRefGoogle Scholar
  4. 4.
    Franklin RE, Gosling RG (1953) Nature 171: 740.CrossRefGoogle Scholar
  5. 5.
    Watson JD, Crick FHC (1953) Nature 171: 737.CrossRefGoogle Scholar
  6. 6.
    Schneider B, Berman HM (2006) In: Sponer J, Lankas F (eds) Computational Studies of RNA and DNA, in the series Challenges and Advances in Computational Chemistry and Physics, vol 2. Springer, The Neatherlands, p 1.Google Scholar
  7. 7.
    Crespo-Hernandez CE, Cohen B, Hare PM, Kohler B (2004) Chem Rev 104: 1977.CrossRefGoogle Scholar
  8. 8.
    Schreier WJ, Schrader TE, Koller FO, Gilch P, Crespo-Hernandez CE, Swaminathan VN, Carell T, Zinth W, Kohler B (2007) Science 315: 625.CrossRefGoogle Scholar
  9. 9.
    Boudaffa B, Cloutier P, Haunting D, Huels MA, Sanche L (2000) Science 287: 1658.CrossRefGoogle Scholar
  10. 10.
    Bao X, Wang J, Gu J, Leszczynski J (2006) Proc Natl Acad Sci USA 103: 5658.CrossRefGoogle Scholar
  11. 11.
    Callis PR (1983) Ann Rev Phys Chem 34: 329.CrossRefGoogle Scholar
  12. 12.
    Duggan D, Bowmann R, Brodie BB, Udenfriend S (1957) Arch Biochem Biophys 68: 1.CrossRefGoogle Scholar
  13. 13.
    Ge G, Zhu S, Bradrick TD, Georghiou S (1990) Photochem Photobiol 51: 557.CrossRefGoogle Scholar
  14. 14.
    Georghiou S, Saim AM (1986) Photochem Photobiol 44: 733.CrossRefGoogle Scholar
  15. 15.
    Agroskin LS, Korolev NV, Kulaev IS, Mesel MN, Pomashchinkova NA (1960) Dokl Akad Nauk SSSR 131: 1440.Google Scholar
  16. 16.
    Steele R.H, Szent-Gyorgyi A (1957) Proc Natl Acad Sci USA 43: 477.CrossRefGoogle Scholar
  17. 17.
    Longworth JW (1962) Biochem J 84: 104P.Google Scholar
  18. 18.
    Bersohn R, Isenberg I (1964) J Chem Phys 40: 3175.CrossRefGoogle Scholar
  19. 19.
    Eisinger J, Lamola AA (1971) In: Steiner RF, Weinryb I (eds) Excited State of Proteins and Nucleic Acids. Plenum Press, New York-London, p 107.Google Scholar
  20. 20.
    Saigusa H (2007) J Photochem Photobiol C 7: 197.CrossRefGoogle Scholar
  21. 21.
    de Vries MS, Hobza P (2007) Annu Rev Phys Chem 58: 585.CrossRefGoogle Scholar
  22. 22.
    Chen H, Li S (2006) J Phys Chem A 110: 12360.CrossRefGoogle Scholar
  23. 23.
    Marian CM (2007) J Phys Chem A 111: 1545.CrossRefGoogle Scholar
  24. 24.
    Perun S, Sobolewski AL, Domcke W (2006) J Phys Chem A 110: 13238.CrossRefGoogle Scholar
  25. 25.
    Zgierski MZ, Patchkovskii S, Lim EC (2007) Can J Chem 85: 124.CrossRefGoogle Scholar
  26. 26.
    Yarasi S, Brost P, Loppnow GR (2007) J Phys Chem A 111: 5130.CrossRefGoogle Scholar
  27. 27.
    Blancafort L (2007) Photochem Photobiol 83: 603.Google Scholar
  28. 28.
    Kistler KA, Matsika S (2007) J Phys Chem A 111: 2650.CrossRefGoogle Scholar
  29. 29.
    Chung WC, Lan Z, Ohtsuki Y, Shimakura N, Domcke W, Fujimura Y (2007) Phys Chem Chem Phys 9: 2075.CrossRefGoogle Scholar
  30. 30.
    Barbatti M, Lischka H (2007) J Phys Chem A 111: 2852.CrossRefGoogle Scholar
  31. 31.
    Yamazaki S, Kato S (2007) J Am Chem Soc 129: 2901.CrossRefGoogle Scholar
  32. 32.
    Kundu LM, Loppnow (2007) Photochem Photobiol 83: 600.Google Scholar
  33. 33.
    Matsika S (2005) J Phys Chem A 109: 7538.CrossRefGoogle Scholar
  34. 34.
    Markwick PRL, Doltsinis NL (2007) J Chem Phys 126: 175102CrossRefGoogle Scholar
  35. 35.
    Markwick PRL, Doltsinis NL, Schlitter J (2007) J Chem Phys 126: 45104.CrossRefGoogle Scholar
  36. 36.
    Groenhof G, Schafer LV, Boggio-Pasqua M, Goette M, Grubmuller H, Robb MA (2007) J Am Chem Soc 129: 6812.CrossRefGoogle Scholar
  37. 37.
    Shukla MK, Leszczynski J (2007) J Biomol Struct Dyn 25: 93.Google Scholar
  38. 38.
    Leszczynski J (2000) In: Hargittai M, Hargittai I (eds) Advances in Molecular Structure and Research, vol 6. JAI Press Inc, Stamford, Connecticut, p 209.Google Scholar
  39. 39.
    Sponer J, Leszczynski J, Hobza P (2002) Biopolymers (Nucl Acid Sci) 61: 3.Google Scholar
  40. Sponer J, Lankas F (2006) (eds) Computational Studies of RNA and DNA, in the series “Challenges and Advances in Computational Chemistry and Physics” vol 2. Springer, The Netherlands.Google Scholar
  41. 41.
    Nir E, Janzen Ch, Imhof P, Kleinermanns K, de Vries MS (2001) J Chem Phys 115: 4604.CrossRefGoogle Scholar
  42. 42.
    Mons M, Dimicoli I, Piuzzi F, Tardivel B, Elhanine M (2002) J Phys Chem A 106: 5088.CrossRefGoogle Scholar
  43. 43.
    Choi MY, Miller RE (2006) J Am Chem Soc 128: 7320.CrossRefGoogle Scholar
  44. 44.
    Mons M, Piuzzi F, Dimicoli I, Gorb L, Leszczynki J (2006) J Phys Chem A 110: 10921.CrossRefGoogle Scholar
  45. 45.
    Shukla MK, Leszczynski J (2006) Chem Phys Lett 429: 261.CrossRefGoogle Scholar
  46. 46.
    Laxer A, Major DT, Gottlieb HE, Fischer B (2001) J Org Chem 66, 5463.Google Scholar
  47. 47.
    Chenon MT, Pugmire RJ, Grant DM, Panzica RP, Townsend LB (1975) J Am Chem Soc 97: 4636.CrossRefGoogle Scholar
  48. 48.
    Lin J, Yu C, Peng S, Akiyama I, Li K, Lee LK, LeBreton PR (1980) J Am Chem Soc 102: 4627.CrossRefGoogle Scholar
  49. 49.
    Nowak MJ, Rostkowska H, Lapinski L, Kwiatkowski JS, Leszczynski J (1994) J Phys Chem 98: 2813.CrossRefGoogle Scholar
  50. 50.
    Hanus M, Kabelac M, Rejnek J, Ryjacek F, Hobza P (2004) J Phys Chem B 108: 2087.CrossRefGoogle Scholar
  51. 51.
    Guerra CF, Bickelhaupt FM, Saha S, Wang F (2006) J Phys Chem A 110: 4012.CrossRefGoogle Scholar
  52. 52.
    Stryer L (1988) Biochemistry 3rd edition Freeman, New York.Google Scholar
  53. 53.
    Holley RW, Apgar J, Everett GA, Madison JT, Marquisee M, Merrill SH, Penswick JR, Zamir A (1965) Science 147: 1462.CrossRefGoogle Scholar
  54. 54.
    Grunberger D, Holy A, Sorm F (1967) Biochim Biophys Acta 134: 484.Google Scholar
  55. 55.
    Friedberg EC, Walker GC, Siede W (1995) DNA Repair and Mutagenesis, ASM Press, Washington, DC.Google Scholar
  56. 56.
    Ramaekers R, Maes G, Adamowicz L, Dkhissi A (2001) J Mol Struct 560: 205.CrossRefGoogle Scholar
  57. 57.
    Sheina GG, Stepanian SG, Radchenko ED, Blagoi YuP (1987) J Mol Struct 158: 275.CrossRefGoogle Scholar
  58. 58.
    Shukla MK, Leszczynski J (2000) J Phys Chem A 104: 3021.CrossRefGoogle Scholar
  59. 59.
    Shukla MK, Leszczynski J (2000) J Mol Struct (Theochem) 529: 99.CrossRefGoogle Scholar
  60. 60.
    Hernandez B, Luque FT, Orozco M (1996) J Org Chem 61: 5964.CrossRefGoogle Scholar
  61. 61.
    Costas ME, Acevedo-Chavez R (1997) J Phys Chem A 101: 8309.CrossRefGoogle Scholar
  62. 62.
    Lin J, Yu C, Peng S, Akiyama I, Li K, Lee LK, LeBreton PR (1980) J Phys Chem 84: 1006.CrossRefGoogle Scholar
  63. 63.
    Lichtenberg D, Bergmann F, Neiman Z (1972) Isr J Chem 10: 805.Google Scholar
  64. 64.
    Munns ARI, Tollin P (1970) Acta Crystallogr B 26: 1101.CrossRefGoogle Scholar
  65. 65.
    Sadeghi RR, Cheng H-P (1999) J Chem Phys 111: 2086.CrossRefGoogle Scholar
  66. 66.
    Szczesniak M, Szczepaniak K, Kwiatowski JS, KuBulat K, Person WB (1998) J Am Chem Soc 110: 8319.CrossRefGoogle Scholar
  67. 67.
    Kwiatkowski JS, Leszczynski J (1996) J. Phys. Chem. 100: 941.CrossRefGoogle Scholar
  68. 68.
    Brown RD, Godfrey PD, McNaughton D, Pierlot AP (1989) J Am Chem Soc 111: 2308.CrossRefGoogle Scholar
  69. 69.
    Drefus M, Bensaude O, Dodin G, Dubois JE (1976) J Am Chem Soc 98: 6338.CrossRefGoogle Scholar
  70. 70.
    Nir E, Muller M, Grace LI, de Vries MS (2002) Chem Phys Lett 355: 59.CrossRefGoogle Scholar
  71. 71.
    Smets J, Adamowicz L, Maes G (1996) J Phys Chem 100: 6434.CrossRefGoogle Scholar
  72. 72.
    Lapinski L, Nowak MJ, Fulara J, Les A, Adamowicz L (1990) J Phys Chem 94: 6555.CrossRefGoogle Scholar
  73. 73.
    McClure RJ, Craven BM (1973) Acta Crystallogr 29B: 1234.Google Scholar
  74. 74.
    Kobayashi R (1998) J Phys Chem A 102: 10813.CrossRefGoogle Scholar
  75. 75.
    Trygubenko SA, Bogdan TV, Rueda M, Orozco M, Luque JF, Sponer J, Slavicek P, Hobza P (2002) Phys Chem Chem Phys 4: 4192.CrossRefGoogle Scholar
  76. 76.
    Fogarasi G, Szalay PG (2002) Chem Phys Lett 356: 383.CrossRefGoogle Scholar
  77. 77.
    Suwaiyan A, Morsy MA, Odah KA (1995) Chem Phys Lett 237: 349.CrossRefGoogle Scholar
  78. 78.
    Morsy MA, Al-Somali AM, Suwaiyan A (1999) J Phys Chem B 103: 11205.CrossRefGoogle Scholar
  79. 79.
    Rejnek J, Hanus M, Kabelac M, Ryjacek F, Hobza P (2005) Phys Chem Chem Phys 7: 2006.CrossRefGoogle Scholar
  80. 80.
    Shishkin OV, Gorb L, Leszczynski J (2000) Chem Phys Lett 330: 603.CrossRefGoogle Scholar
  81. 81.
    Shishkin OV, Gorb L, Hobza P, Leszczynski J (2000) Int J Quantum Chem 80: 1116.CrossRefGoogle Scholar
  82. 82.
    Leszczynski J (1992) Int J Quantum Chem 19: 43.CrossRefGoogle Scholar
  83. 83.
    Dong F, Miller RE (2002) Science 298: 1227.CrossRefGoogle Scholar
  84. 84.
    Li X, Cai Z, Sevilla MD (2002) J Phys Chem A 106: 1596.CrossRefGoogle Scholar
  85. 85.
    Lin J, Yu C, Peng S, Akiyama I, Li K, Lee LK, LeBreton PR (1980) J Am Chem Soc 102: 4627.CrossRefGoogle Scholar
  86. 86.
    Yang X, Wang X-B, Vorpagel ER, Wang L-S (2004) Proc Natl Acad Sci USA 101: 17588.CrossRefGoogle Scholar
  87. 87.
    Trofimov AB, Schirmer J, Kobychev VB, Potts AW, Holland DMP, Karlsson L (2006) J Phys B At Mol Opt Phys 39: 305.CrossRefGoogle Scholar
  88. 88.
    Close DM (2004) J Phys Chem A 108: 10376.CrossRefGoogle Scholar
  89. 89.
    Crespo-Hernandez CE, Arce R, Ishikawa Y, Gorb L, Leszczynski J, Close DM (2004) J Phys Chem A 108: 6373.CrossRefGoogle Scholar
  90. 90.
    Cauet E, Dehareng D, Lievin J (2006) J Phys Chem A 110: 9200.CrossRefGoogle Scholar
  91. 91.
    Podolyan Y, Gorb L, Leszczynski J (2000) J Phys Chem A 104: 7346.CrossRefGoogle Scholar
  92. 92.
    Huang Y, Kenttamaa H (2004) J Phys Chem A 108: 4485.CrossRefGoogle Scholar
  93. 93.
    Kryachko ES, Nguyen MT, Zeegers-Huyskenes T (2001) J Phys Chem A 105: 1288.CrossRefGoogle Scholar
  94. 94.
    Ganguly S, Kundu KK (1994) Can J Chem 72: 1120.CrossRefGoogle Scholar
  95. 95.
    Benoit R, Frechette M (1986) Can J Chem 64: 2348.CrossRefGoogle Scholar
  96. 96.
    Greco F, Liguori A, Sindona G, Uccella N (1990) J Am Chem Soc 112: 9092.CrossRefGoogle Scholar
  97. 97.
    Shukla MK, Leszczynski J (2002) J Phys Chem A 106: 1011.CrossRefGoogle Scholar
  98. 98.
    Shukla MK, Leszczynski J (2002) J Phys Chem A 106: 4709.CrossRefGoogle Scholar
  99. 99.
    Gorb L, Podolyan Y, Dziekonski P, Sokalaski WA, Leszczynski J (2004) J Am Chem Soc 126: 10119.CrossRefGoogle Scholar
  100. 100.
    Podolyan Y, Nowak MJ, Lapinski L, Leszczynski J (2005) J Mol Struct 744: 19.CrossRefGoogle Scholar
  101. 101.
    Kurita N, Danilov VI, Anisimov VM (2005) Chem Phys Lett 404: 164.CrossRefGoogle Scholar
  102. 102.
    Sponer J, Florian J, Hobza P, Leszczynski J (1996) J Biomol Struct Dyn 13: 827.Google Scholar
  103. 103.
    Dabkowska I, Jurecka P, Hobza P (2005) J Chem Phys 122: 204322.CrossRefGoogle Scholar
  104. 104.
    Sponer J, Jurecka P, Hobza P (2004) J Am Chem Soc 126: 10142.CrossRefGoogle Scholar
  105. 105.
    Jurecka P, Sponer J, Cerny J, Hobza P (2006) Phys Chem Chem Phys 8: 1985.CrossRefGoogle Scholar
  106. 106.
    Sponer J, Jurecka P, Marchan I, Luque FJ, Orozco M, Hobza P (2006) Chem Eur J 12: 2854.CrossRefGoogle Scholar
  107. 107.
    Zendlova L, Hobza P, Kabelac M (2006) Chem Phys Chem 7: 439.Google Scholar
  108. 108.
    Kumar A, Mishra PC, Suhai S (2005) J Phys Chem A 109: 3971.CrossRefGoogle Scholar
  109. 109.
    Kumar A, Knapp-Mohammady M, Mishra PC, Suhai S (2004) J Comput Chem 25: 1047.CrossRefGoogle Scholar
  110. 110.
    Lind MC, Bera PP, Richardson NA, Wheeler SE, Schaefer HF, III (2006) Proc Natl Acad Sci USA 103: 7554.CrossRefGoogle Scholar
  111. 111.
    Sutherland JC, Griffin K (1984) Biopolymers 23: 2715.CrossRefGoogle Scholar
  112. 112.
    Voelter W, Records R, Bunnenberg E, Djerassi C (1968) J Am Chem Soc 90: 6163.CrossRefGoogle Scholar
  113. 113.
    Sprecher CA, Johnson Jr WC (1977) Biopolymers 16: 2243.CrossRefGoogle Scholar
  114. 114.
    Shukla MK, Leszczynski J (2003) In: Leszczynski J (ed) Computational Chemistry: Reviews of Current Trends, vol 8. World Scientific, Singapore, p 249.Google Scholar
  115. 115.
    Clark LB (1977) J Am Chem Soc 99: 3934.CrossRefGoogle Scholar
  116. 116.
    Clark LB (1994) J Am Chem Soc 116: 5265.CrossRefGoogle Scholar
  117. 117.
    Santhosh C, Mishra PC (1989) J Mol Struct 198: 327.CrossRefGoogle Scholar
  118. 118.
    Miles DW, Hann SJ, Robins RK, Eyring H (1968) J Phys Chem 72: 1483.CrossRefGoogle Scholar
  119. 119.
    Stewart RF, Davidson J (1963) J Chem Phys 39: 255.CrossRefGoogle Scholar
  120. 120.
    Inagaki T, Ito A, Heida K, Ho T (1986) Photochem Photobiol 44: 303.CrossRefGoogle Scholar
  121. 121.
    Clark LB (1989) J Phys Chem 93: 5345.CrossRefGoogle Scholar
  122. 122.
    Clark LB (1990) J Phys Chem 94: 2873.CrossRefGoogle Scholar
  123. 123.
    Holmen A, Broo A, Albinsson B, Norden B (1997) J Am Chem Soc 119: 12240.CrossRefGoogle Scholar
  124. 124.
    Clark LB (1995) J Phys Chem 99: 4466.CrossRefGoogle Scholar
  125. 125.
    Kim NJ, Jeong G, Kim YS, Sung J, Kim SK, Park YD (2000) J Chem Phys 113: 10051.CrossRefGoogle Scholar
  126. 126.
    Luhrs DC, Viallon J, Fischer I (2001) Phys Chem Chem Phys 3: 1827.CrossRefGoogle Scholar
  127. 127.
    Nir E, Kleinermanns K, Grace L, de Vries MS (2001) J Phys Chem A 105: 5106.CrossRefGoogle Scholar
  128. 128.
    Voet D, Gratzer WB, Cox RA, Doty P (1963) Biopolymers 1: 193.CrossRefGoogle Scholar
  129. 129.
    Clark LB, Tinoco I (1965) J Am Chem Soc 87: 11.CrossRefGoogle Scholar
  130. 130.
    Yamada T, Fukutome H (1968) Biopolymers 6: 43.CrossRefGoogle Scholar
  131. 131.
    Zaloudek F, Novros JS, Clark LB (1985) J Am Chem Soc 107: 7344.CrossRefGoogle Scholar
  132. 132.
    Johnson Jr WC, Vipond PM, Girod JC (1971) Biopolymers 10: 923.CrossRefGoogle Scholar
  133. 133.
    Kaito A, Hatano M, Ueda T, Shibuya S (1980) Bull Chem Soc Jpn 53: 3073.CrossRefGoogle Scholar
  134. 134.
    Raksany K, Foldvary I (1978) Biopolymers 17: 887.CrossRefGoogle Scholar
  135. 135.
    Novros JS, Clark LB (1986) J Phys Chem 90: 5666.CrossRefGoogle Scholar
  136. 136.
    Matsuoks Y, Norden B (1982) J Phys Chem 86: 1378.CrossRefGoogle Scholar
  137. 137.
    Holmen A, Broo A, Albinsson B (1994) J Phys Chem 98: 4998.CrossRefGoogle Scholar
  138. 138.
    Becker RS, Kogan G (1980) Photochem Photobiol 31: 5.CrossRefGoogle Scholar
  139. 139.
    Fujii M, Tamura T, Mikami N, Ito M (1986) Chem Phys Lett 126: 583.CrossRefGoogle Scholar
  140. 140.
    Fulscher MP, Serrano-Andres L, Roos BO (1997) J Am Chem Soc 119: 6168.CrossRefGoogle Scholar
  141. 141.
    Lorentzon J, Fulscher MP, Roos BO (1995) J Am Chem Soc 117: 9265.CrossRefGoogle Scholar
  142. 142.
    Fulscher MP, Roos BO (1995) J Am Chem Soc 117: 2089.CrossRefGoogle Scholar
  143. 143.
    Mennucci B, Toniolo A, Tomasi J (2001) J Phys Chem A 105: 4749.CrossRefGoogle Scholar
  144. 144.
    Mennucci B, Toniolo A, Tomasi J (2001) J Phys Chem A 105: 7126.CrossRefGoogle Scholar
  145. 145.
    Shukla MK, Leszczynski J (2004) J Comput Chem 25: 768.CrossRefGoogle Scholar
  146. 146.
    Tsolakidis A, Kaxiras E (2005) J Phys Chem A 109: 2373.CrossRefGoogle Scholar
  147. 147.
    Varsano D, Felice RD, Marques MAL, Rubio A (2006) J Phys Chem B 110: 7129.CrossRefGoogle Scholar
  148. 148.
    Cerny J, Spirko V, Mons M, Hobza P, Nachtigallova D (2006) Phys Chem Chem Phys 8: 3059.Google Scholar
  149. 149.
    Improta R, Barone V (2004) J Am Chem Soc 126: 14320.CrossRefGoogle Scholar
  150. 150.
    Gustavsson T, Banyasz A, Lazzarotto E, Markovitsi D, Scalmani G, Frisch MJ, Barone V, Improta R (2006) J Am Chem Soc 128: 607.CrossRefGoogle Scholar
  151. 151.
    Fleig T, Knecht S, Hattig C (2007) J Phys Chem A 111: 5482.CrossRefGoogle Scholar
  152. 152.
    Shukla MK, Mishra PC (1999) Chem Phys 240: 319.CrossRefGoogle Scholar
  153. 153.
    Shukla MK, Mishra SK, Kumar A, Mishra PC (2000) J Comput Chem 21: 826.CrossRefGoogle Scholar
  154. 154.
    Mishra SK, Shukla MK, Mishra PC (2000) Spectrochim Acta 56A: 1355.Google Scholar
  155. 155.
    Broo A (1998) J Phys Chem A 102: 526.CrossRefGoogle Scholar
  156. 156.
    Shukla MK, Leszczynski J (2002) J Phys Chem A 106: 11338.CrossRefGoogle Scholar
  157. 157.
    So R, Alavi S (2007) J Comput Chem 28: 1776.CrossRefGoogle Scholar
  158. 158.
    Ritze H-H, Hobza P, Nachtigallova D (2007) Phys Chem Chem Phys 9: 1672.CrossRefGoogle Scholar
  159. 159.
    Shukla MK, Leszczynski J (2003) J Phys Chem A 107: 5538.CrossRefGoogle Scholar
  160. 160.
    Andreasson J, Holmen A, Albinsson B (1999) J Phys Chem B 103: 9782.CrossRefGoogle Scholar
  161. 161.
    Mennucci B, Toniolo A, Tomasi J (2000) J Am Chem Soc 122: 10621.CrossRefGoogle Scholar
  162. 162.
    Shukla MK, Leszczynski J (2002) J Phys Chem A 106: 8642.CrossRefGoogle Scholar
  163. 163.
    Shukla MK, Leszczynski J (2005) J Phys Chem A 109: 7775.CrossRefGoogle Scholar
  164. 164.
    Salter LM, Chaban GM (2002) J Phys Chem A 106: 4251.CrossRefGoogle Scholar
  165. 165.
    Shukla MK, Leszczynski J (2005) Int J Quantum Chem 105: 387.CrossRefGoogle Scholar
  166. 166.
    Chaban GM, Gordon MS (1999) J Phys Chem A 103: 185.CrossRefGoogle Scholar
  167. 167.
    Shukla MK, Leszczynski J (2005) J Phys Chem B 109: 17333.CrossRefGoogle Scholar
  168. 168.
    Nowak MJ, Lapinski L, Kwiatkowski JS, Leszczynski J (1997) In: Leszczynski J (ed) Computational Chemistry: Reviews of Current Tends, vol 2, World Scientific, Singapore, p 140.Google Scholar
  169. 169.
    Lipsett MN (1965) J Biol Chem 240: 3975.Google Scholar
  170. 170.
    Yaniv M, Favre A, Barrell BG (1969) Nature 223: 1331.CrossRefGoogle Scholar
  171. 171.
    Tiekink ERT (1989) Z Kristallogr 187: 79.Google Scholar
  172. 172.
    Hawkinson SW (1975) Acta Crystallogr B31: 2153.CrossRefGoogle Scholar
  173. 173.
    Shefter E, Mautner HG (1967) J Am Chem Soc 89: 1249.CrossRefGoogle Scholar
  174. 174.
    Rostkowska H, Szczepaniak K, Nowak MJ, Leszczynski J, KuBulat K, Person KB (1990) J Am Chem Soc 112: 2147.CrossRefGoogle Scholar
  175. 175.
    Rubin YV, Morozov Y, Venkateswarlu D, Leszczynski J (1998) J Phys Chem A 102: 2194.CrossRefGoogle Scholar
  176. 176.
    Igarashi-Yamamoto N, Tajiri A, Hatano M, Shibuya S, Ueda T (1981) Biochim Biophys Acta 656: 1.Google Scholar
  177. 177.
    Kokko JP, Goldstein JH, Mandell L (1962) J Am Chem Soc 84: 1042.CrossRefGoogle Scholar
  178. 178.
    Pownall HJ, Schaffer AM, Becker RS, Mantulin WM (1978) Photochem Photobiol 27: 625.CrossRefGoogle Scholar
  179. 179.
    Capitanio DA, Pownall HJ, Huber JR (1974) J Photochem 3: 225.CrossRefGoogle Scholar
  180. 180.
    Shukla, MK and Leszczynski J (2004) J Phys Chem A 108: 10367.CrossRefGoogle Scholar
  181. 181.
    Shukla, MK and Leszczynski J (2004) J Phys Chem A 108: 7241.CrossRefGoogle Scholar
  182. 182.
    Shukla, MK and Leszczynski J (2006) J Mol Struct (Theochem) 771: 149.CrossRefGoogle Scholar
  183. 183.
    Faerber P, Saenger W, Scheit KH, Suck D (1970) FEBS Lett 10: 41.CrossRefGoogle Scholar
  184. 184.
    Salet C, Bensasson R, Favre A (1983) Photochem Photobiol 38: 521.CrossRefGoogle Scholar
  185. 185.
    Taherian M-R, Maki AH (1981) Chem Phys 55: 85.CrossRefGoogle Scholar
  186. 186.
    Milder SJ, Kliger DS (1985) J Am Chem Soc 107: 7365.CrossRefGoogle Scholar
  187. 187.
    Shukla MK, Leszczynski J (2005) Chem Phys Lett 414: 92.CrossRefGoogle Scholar
  188. 188.
    Boys SF, Bernardi F (1970) Mol Phys 19: 553.CrossRefGoogle Scholar
  189. 189.
    Noguera M, Blancafort L, Sodupe M, Bertran J (2006) Mol Phys 104: 925.CrossRefGoogle Scholar

Copyright information

© Springer Science+Business Media B.V. 2008

Authors and Affiliations

  • Manoj k. Shukla
    • 1
  • Jerzy Leszczynski
    • 1
  1. 1.Computational Center for Molecular Structure and Interactions, Department of ChemistryJackson State UniversityJacksonUSA

Personalised recommendations

Cite chapter

Buy options