SCOPUS 정보 검색 플랫폼

Organic and Biomolecular Chemistry

Volumn 10, Issue 6, 2012, Pages 1196-1206

Computational study of radicals derived from hydroxyurea and its methylated analogues

(5) Vrek, Ivana Vinković a Akić, Davor b Vrek, Valerije b Zipse, Hendrik c Biru, Mladen b

a INSTITUTE FOR MEDICAL RESEARCH AND OCCUPATIONAL HEALTH (Croatia)

b UNIVERSITY OF ZAGREB (Croatia)

c UNIVERSITY OF MUNICH (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON-CENTERED RADICALS; COMPOSITE MODELS; COMPUTATIONAL STUDIES; EPR SPECTRA; FUNCTIONALS; HYDROXYUREA; HYPERFINE COUPLING CONSTANTS; INTRAMOLECULAR HYDROGEN; METHYL MIGRATIONS; OPEN-SHELL; PHARMACOLOGICAL EFFECTS; POTENTIAL ENERGY PROFILES; RADICAL STABILIZATION ENERGY; REDUCTION POTENTIAL; SOLVATION EFFECT; TAUTOMERIZATIONS; TYROSYL RADICALS; WATER MOLECULE;

ELECTRON SPIN RESONANCE SPECTROSCOPY; ELECTRONIC PROPERTIES; HYDROGEN;

FREE RADICALS;

DRUG DERIVATIVE; FREE RADICAL; HYDROXYUREA;

ARTICLE; CHEMISTRY; METHYLATION; QUANTUM THEORY; THERMODYNAMICS;

FREE RADICALS; HYDROXYUREA; METHYLATION; QUANTUM THEORY; THERMODYNAMICS;

EID: 84856190495 PISSN: 14770520 EISSN: None Source Type: Journal
DOI: 10.1039/c1ob06594g Document Type: Article

Times cited : (6)

References (77)

1
- 79952980528
- J. L. Spivak H. Hasselbalch Expert Rev. Anti-Infect. Ther. 2011 11 403
- (2011) Expert Rev. Anti-Infect. Ther. , vol.11 , pp. 403
- Spivak, J.L.¹ Hasselbalch, H.²

2
- 0033529723
- S. Hannessian S. Johnstone J. Org. Chem. 1999 64 5896
- (1999) J. Org. Chem. , vol.64 , pp. 5896
- Hannessian, S.¹ Johnstone, S.²

3
- 0032817856
- P. Nandy E. J. Lien V. I. Avramis Anticancer Res. 1999 19 1625
- (1999) Anticancer Res. , vol.19 , pp. 1625
- Nandy, P.¹ Lien, E.J.² Avramis, V.I.³

4
- 0004211170
- 4th edn Thieme, Stuttgart
- A. Kleeman, J. Engel, B. Kutscher and D. Reichert, Pharmaceutical substances, synthesis, patents, applications, 4th edn Thieme, Stuttgart, 2001
- (2001) Pharmaceutical Substances, Synthesis, Patents, Applications
- Kleeman, A.¹ Engel, J.² Kutscher, B.³ Reichert, D.⁴

5
- 4043163356
- S. B. King Free Radical Biol. Med. 2004 37 737
- (2004) Free Radical Biol. Med. , vol.37 , pp. 737
- King, S.B.¹

6
- 67349092776
- N. Saban M. Bujak Cancer Chemother. Pharmacol. 2009 64 213
- (2009) Cancer Chemother. Pharmacol. , vol.64 , pp. 213
- Saban, N.¹ Bujak, M.²

7
- 0014135011
- H. S. Rosenkranz E. B. Winshell A. Mednis H. S. Carr C. J. Ellner J. Bacteriol. 1967 94 1025
- (1967) J. Bacteriol. , vol.94 , pp. 1025
- Rosenkranz, H.S.¹ Winshell, E.B.² Mednis, A.³ Carr, H.S.⁴ Ellner, C.J.⁵

8
- 0015454027
- N. K. Sinha D. P. Snustad J. Bacteriol. 1972 112 1321
- (1972) J. Bacteriol. , vol.112 , pp. 1321
- Sinha, N.K.¹ Snustad, D.P.²

9
- 0015581868
- J. A. Fuchs H. O. Karlstrom Eur. J. Biochem. 1973 32 457
- (1973) Eur. J. Biochem. , vol.32 , pp. 457
- Fuchs, J.A.¹ Karlstrom, H.O.²

10
- 0023104990
- B. Kren J. A. Fuchs J. Bacteriol. 1987 169 14
- (1987) J. Bacteriol. , vol.169 , pp. 14
- Kren, B.¹ Fuchs, J.A.²

11
- 0023024912
- B. M. Sjoberg S. Hahne M. Karlsson H. Jornvall M. Goransson B. E. Uhlin J. Biol. Chem. 1986 261 5658
- (1986) J. Biol. Chem. , vol.261 , pp. 5658
- Sjoberg, B.M.¹ Hahne, S.² Karlsson, M.³ Jornvall, H.⁴ Goransson, M.⁵ Uhlin, B.E.⁶

12
- 4644320688
- J. L. Sneeden L. A. Loeb J. Biol. Chem. 2004 279 40723
- (2004) J. Biol. Chem. , vol.279 , pp. 40723
- Sneeden, J.L.¹ Loeb, L.A.²

13
- 71149107246
- T. Bollenbach R. Kishony Mol. Cell 2009 36 728
- (2009) Mol. Cell , vol.36 , pp. 728
- Bollenbach, T.¹ Kishony, R.²

14
- 71149083755
- B. W. Davies M. A. Kohanski L. A. Simmons J. A. Winkler J. J. Collins G. C. Walker Mol. Cell 2009 36 845
- (2009) Mol. Cell , vol.36 , pp. 845
- Davies, B.W.¹ Kohanski, M.A.² Simmons, L.A.³ Winkler, J.A.⁴ Collins, J.J.⁵ Walker, G.C.⁶

15
- 0029025475
- S. Charache M. L. Terrin R. D. Moore G. J. Dover F. B. Barton S. V. Eckert R. P. McMahon D. R. Bonds N. Engl. J. Med. 1995 332 1317
- (1995) N. Engl. J. Med. , vol.332 , pp. 1317
- Charache, S.¹ Terrin, M.L.² Moore, R.D.³ Dover, G.J.⁴ Barton, F.B.⁵ Eckert, S.V.⁶ McMahon, R.P.⁷ Bonds, D.R.⁸

16
- 37049129919
- E. Boyland R. Nery J. Chem. Soc. C 1966 354
- (1966) J. Chem. Soc. C , pp. 354
- Boyland, E.¹ Nery, R.²

17
- 0014727719
- A. R. Forrester M. M. Ogilvy R. H. Thomson J. Chem. Soc. C 1970 1081
- (1970) J. Chem. Soc. C , pp. 1081
- Forrester, A.R.¹ Ogilvy, M.M.² Thomson, R.H.³

18
- 74249084890
- A. Budimir E. Beić M. Biru Croat. Chem. Acta 2009 82 807
- (2009) Croat. Chem. Acta , vol.82 , pp. 807
- Budimir, A.¹ Beić, E.² Biru, M.³

19
- 0009632298
- E. E. Smissuan N. A. Dahle V. D. Warner J. Org. Chem. 1971 38 2565
- (1971) J. Org. Chem. , vol.38 , pp. 2565
- Smissuan, E.E.¹ Dahle, N.A.² Warner, V.D.³

20
- 75749128586
- D. Chatterjee K. A. Nayak E. Ember R. van Eldik Dalton Trans. 2010 39 1695
- (2010) Dalton Trans. , vol.39 , pp. 1695
- Chatterjee, D.¹ Nayak, K.A.² Ember, E.³ Van Eldik, R.⁴

21
- 0015524976
- H. Bartsch J. A. Miller E. C. Miller Biochim. Biophys. Acta, Gen. Subj. 1972 273 40
- (1972) Biochim. Biophys. Acta, Gen. Subj. , vol.273 , pp. 40
- Bartsch, H.¹ Miller, J.A.² Miller, E.C.³

22
- 0037012362
- J. M. Huang E. M. Sommers D. B. Kim-Shapiro S. B. King J. Am. Chem. Soc. 2002 124 3473
- (2002) J. Am. Chem. Soc. , vol.124 , pp. 3473
- Huang, J.M.¹ Sommers, E.M.² Kim-Shapiro, D.B.³ King, S.B.⁴

23
- 0029944579
- R. Pacelli J. Taira J. A. Cook D. A. Wink M. C. Krishna Lancet 1996 347 900
- (1996) Lancet , vol.347 , pp. 900
- Pacelli, R.¹ Taira, J.² Cook, J.A.³ Wink, D.A.⁴ Krishna, M.C.⁵

24
- 67649836821
- Y. Samuni W. Flores-Santana M. C. Krishna J. B. Mitchell D. Wink Free Radical Biol. Med. 2009 47 419
- (2009) Free Radical Biol. Med. , vol.47 , pp. 419
- Samuni, Y.¹ Flores-Santana, W.² Krishna, M.C.³ Mitchell, J.B.⁴ Wink, D.⁵

25
- 0021104798
- C. L. Ritter D. Malejkagiganti C. F. Polnaszek Chem.-Biol. Interact. 1983 46 317
- (1983) Chem.-Biol. Interact. , vol.46 , pp. 317
- Ritter, C.L.¹ Malejkagiganti, D.² Polnaszek, C.F.³

26
- 0031443344
- K. Sato T. Akaike T. Sawa Y. Miyamoto M. Suga M. Ando H. Maeda Cancer Sci. 1997 88 1199
- (1997) Cancer Sci. , vol.88 , pp. 1199
- Sato, K.¹ Akaike, T.² Sawa, T.³ Miyamoto, Y.⁴ Suga, M.⁵ Ando, M.⁶ Maeda, H.⁷

27
- 0037279802
- S. B. King Curr. Med. Chem. 2003 10 437
- (2003) Curr. Med. Chem. , vol.10 , pp. 437
- King, S.B.¹

28
- 0035206628
- K. Sakano S. Oikawa K. Hasegawa S. Kawanishi Cancer Sci. 2001 92 1166
- (2001) Cancer Sci. , vol.92 , pp. 1166
- Sakano, K.¹ Oikawa, S.² Hasegawa, K.³ Kawanishi, S.⁴

29
- 0032544290
- C. D. Mull C. L. Bonifant G. Yasaki E. C. Palmer H. Shields S. K. Ballas D. B. Kim-Shapiro S. B. King J. Org. Chem. 1998 63 6452
- (1998) J. Org. Chem. , vol.63 , pp. 6452
- Mull, C.D.¹ Bonifant, C.L.² Yasaki, G.³ Palmer, E.C.⁴ Shields, H.⁵ Ballas, S.K.⁶ Kim-Shapiro, D.B.⁷ King, S.B.⁸

30
- 0042732932
- J. Huang Z. Zou D. B. Kim-Shapiro S. K. Ballas S. B. King J. Med. Chem. 2003 46 3748
- (2003) J. Med. Chem. , vol.46 , pp. 3748
- Huang, J.¹ Zou, Z.² Kim-Shapiro, D.B.³ Ballas, S.K.⁴ King, S.B.⁵

31
- 22944450314
- B. Rohrman D. A. Mazziotti J. Phys. Chem. B 2005 109 13392
- (2005) J. Phys. Chem. B , vol.109 , pp. 13392
- Rohrman, B.¹ Mazziotti, D.A.²

32
- 21144470706
- J. Fritscher E. Artin S. Wnuk G. Bar J. H. Robblee S. Kacprzak M. Kaupp R. G. Griffin M. Bennati J. Stubbe J. Am. Chem. Soc. 2005 127 7729
- (2005) J. Am. Chem. Soc. , vol.127 , pp. 7729
- Fritscher, J.¹ Artin, E.² Wnuk, S.³ Bar, G.⁴ Robblee, J.H.⁵ Kacprzak, S.⁶ Kaupp, M.⁷ Griffin, R.G.⁸ Bennati, M.⁹ Stubbe, J.¹⁰

33
- 62649111228
- H. Zipse E. Artin S. Wnuk G. J. S. Lohman D. Martino R. G. Griffin S. Kacprzak M. Kaupp B. Hoffman M. Bennati J. Stubbe N. Lees J. Am. Chem. Soc. 2009 131 200
- (2009) J. Am. Chem. Soc. , vol.131 , pp. 200
- Zipse, H.¹ Artin, E.² Wnuk, S.³ Lohman, G.J.S.⁴ Martino, D.⁵ Griffin, R.G.⁶ Kacprzak, S.⁷ Kaupp, M.⁸ Hoffman, B.⁹ Bennati, M.¹⁰ Stubbe, J.¹¹ Lees, N.¹²

34
- 77953906046
- W. Jiang J. Xie P. Varano C. Krebs J. M. Jr. Bollinger Biochemistry 2010 49 5340
- (2010) Biochemistry , vol.49 , pp. 5340
- Jiang, W.¹ Xie, J.² Varano, P.³ Krebs, C.⁴ Jr. Bollinger, J.M.⁵

35
- 0025317811
- G. X. Chen K. Asada J. Biol. Chem. 1990 265 2775
- (1990) J. Biol. Chem. , vol.265 , pp. 2775
- Chen, G.X.¹ Asada, K.²

36
- 0028167951
- K. Kawamoto G.-X. Chen J. Mano K. Asada Biochemistry 1994 33 10487
- (1994) Biochemistry , vol.33 , pp. 10487
- Kawamoto, K.¹ Chen, G.-X.² Mano, J.³ Asada, K.⁴

37
- 33748862642
- H. Zipse Top. Curr. Chem. 2006 263 163
- (2006) Top. Curr. Chem. , vol.263 , pp. 163
- Zipse, H.¹

38
- 77955106712
- J. Hioe H. Zipse Org. Biomol. Chem. 2010 8 3609
- (2010) Org. Biomol. Chem. , vol.8 , pp. 3609
- Hioe, J.¹ Zipse, H.²

39
- 80054121870
- A. Budimir T. Weitner I. Kos D. akić M. Gabriević E. Beić M. Biru Croat. Chem. Acta 2011 84 133
- (2011) Croat. Chem. Acta , vol.84 , pp. 133
- Budimir, A.¹ Weitner, T.² Kos, I.³ Akić, D.⁴ Gabriević, M.⁵ Beić, E.⁶ Biru, M.⁷

40
- 36248967656
- 2A′′ state Similar has been observed for the trans-and cis-forms of hydroxyurea anions, see
- T. Weitner E. Beić I. Kos M. Gabriević M. Biru Tetrahedron Lett. 2007 48 9021
- (2007) Tetrahedron Lett. , vol.48 , pp. 9021
- Weitner, T.¹ Beić, E.² Kos, I.³ Gabriević, M.⁴ Biru, M.⁵

41
- 0033485446
- M. Remko P. D. Lyne W. G. Richards Phys. Chem. Chem. Phys. 1999 1 5353
- (1999) Phys. Chem. Chem. Phys. , vol.1 , pp. 5353
- Remko, M.¹ Lyne, P.D.² Richards, W.G.³

42
- 65249113459
- V. Vrek H. Zipse J. Org. Chem. 2009 74 2947
- (2009) J. Org. Chem. , vol.74 , pp. 2947
- Vrek, V.¹ Zipse, H.²

43
- 0024537289
- G. Lassmann B. Liermann Free Radical Biol. Med. 1989 6 241
- (1989) Free Radical Biol. Med. , vol.6 , pp. 241
- Lassmann, G.¹ Liermann, B.²

44
- 33748301935
- M. Gabriević E. Beić M. Biru A. Zahl R. van Eldik J. Inorg. Biochem. 2006 100 1606
- (2006) J. Inorg. Biochem. , vol.100 , pp. 1606
- Gabriević, M.¹ Beić, E.² Biru, M.³ Zahl, A.⁴ Van Eldik, R.⁵

45
- 0000979648
- N. Rega M. Cossi V. Barone J. Chem. Phys. 1996 105 11060
- (1996) J. Chem. Phys. , vol.105 , pp. 11060
- Rega, N.¹ Cossi, M.² Barone, V.³

46
- 33846688001
- L. Hermosilla P. Calle J. M. Garcia de la Vega C. Sieiro J. Phys. Chem. A 2006 110 13600
- (2006) J. Phys. Chem. A , vol.110 , pp. 13600
- Hermosilla, L.¹ Calle, P.² Garcia De La Vega, J.M.³ Sieiro, C.⁴

47
- 78651359464
- L. Hermosilla J. M. Garcia de la Vega C. Sieiro P. Calle J. Chem. Theory Comput. 2011 7 169
- (2011) J. Chem. Theory Comput. , vol.7 , pp. 169
- Hermosilla, L.¹ Garcia De La Vega, J.M.² Sieiro, C.³ Calle, P.⁴

48
- 0345444550
- I. Komaromi J. M. J. Tronchet THEOCHEM 1997 401 55
- (1997) THEOCHEM , vol.401 , pp. 55
- Komaromi, I.¹ Tronchet, J.M.J.²

49
- 0033200107
- H. M. Muchall N. H. Werstiuk J. Lessard THEOCHEM 1999 469 135
- (1999) THEOCHEM , vol.469 , pp. 135
- Muchall, H.M.¹ Werstiuk, N.H.² Lessard, J.³

50
- 84962349419
- S. Simon M. Sodupe J. Bertran Theor. Chem. Acc. 2004 111 217
- (2004) Theor. Chem. Acc. , vol.111 , pp. 217
- Simon, S.¹ Sodupe, M.² Bertran, J.³

51
- 0037745213
- L. Rodriguez-Santiago O. Vendrell I. Tejero M. Sodupe J. Bertran Chem. Phys. Lett. 2001 334 112
- (2001) Chem. Phys. Lett. , vol.334 , pp. 112
- Rodriguez-Santiago, L.¹ Vendrell, O.² Tejero, I.³ Sodupe, M.⁴ Bertran, J.⁵

52
- 0030040082
- The atomic spin density on carbon atoms in 1 and 2 is negligible (all calculated values are less than 0.009), whereas in 3 the corresponding spin density is larger than 0.160 Tautomerizations of radicals e1 or z1 in which the H atom is transferred from an amino group to a carbonyl oxygen result in intermediates which are very unstable (see ESI)
- J. W. Gauld H. Audier J. Fossey L. Radom J. Am. Chem. Soc. 1996 118 6299
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 6299
- Gauld, J.W.¹ Audier, H.² Fossey, J.³ Radom, L.⁴

53
- 0037133264
- J. Huang S. B. Hadimani J. W. Rupon S. K. Ballas D. B. Kim-Shapiro S. B. King Biochemistry 2002 41 2466
- (2002) Biochemistry , vol.41 , pp. 2466
- Huang, J.¹ Hadimani, S.B.² Rupon, J.W.³ Ballas, S.K.⁴ Kim-Shapiro, D.B.⁵ King, S.B.⁶

54
- 0000786837
- A. Bagno C. Comuzzi G. Scorrano J. Am. Chem. Soc. 1994 116 916
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 916
- Bagno, A.¹ Comuzzi, C.² Scorrano, G.³

55
- 0032792593
- A. Bagno C. Comuzzi Eur. J. Org. Chem. 1999 1 287
- (1999) Eur. J. Org. Chem. , vol.1 , pp. 287
- Bagno, A.¹ Comuzzi, C.²

56
- 0034214179
- M. Remko P. D. Lyne W. G. Richards Phys. Chem. Chem. Phys. 2000 2 2511
- (2000) Phys. Chem. Chem. Phys. , vol.2 , pp. 2511
- Remko, M.¹ Lyne, P.D.² Richards, W.G.³

57
- 3843139334
- M. Remko C.-W. von Lieth Struct. Chem. 2004 15 285
- (2004) Struct. Chem. , vol.15 , pp. 285
- Remko, M.¹ Von Lieth, C.-W.²

58
- 80054119240
- G. Di Gregorio G. La Mamna J. C. Paniagua E. Vilaseca THEOCHEM 2000 673 87
- (2000) THEOCHEM , vol.673 , pp. 87
- Di Gregorio, G.¹ La Mamna, G.² Paniagua, J.C.³ Vilaseca, E.⁴

59
- 0000401750
- B. Monzyk A. L. Crumbliss J. Org. Chem. 1980 45 4670
- (1980) J. Org. Chem. , vol.45 , pp. 4670
- Monzyk, B.¹ Crumbliss, A.L.²

60
- 57149146047
- I. Vinković Vrek I. Kos T. Weitner M. Biru J. Phys. Chem. A 2008 112 11756
- (2008) J. Phys. Chem. A , vol.112 , pp. 11756
- Vinković Vrek, I.¹ Kos, I.² Weitner, T.³ Biru, M.⁴

61
- 84856208312
- Ph. D. Thesis, University of Zagreb, Zagreb, If inner-shell electron transfer is assumed, z-forms of anions are to be considered only. See ref. 30, 51, and 52
- I. Vinković Vrek, Ph. D. Thesis, University of Zagreb, Zagreb, 2007
- (2007)
- Vinković Vrek, I.¹

62
- 0025071153
- K.-Y. Lam D. G. Fortier A. G. Sykes J. Chem. Soc., Chem. Commun. 1990 1019
- (1990) J. Chem. Soc., Chem. Commun. , pp. 1019
- Lam, K.-Y.¹ Fortier, D.G.² Sykes, A.G.³

63
- 1842783101
- A. Lewis J. A. Bumpus D. G. Truhlar C. J. Cramer J. Chem. Educ. 2004 81 596
- (2004) J. Chem. Educ. , vol.81 , pp. 596
- Lewis, A.¹ Bumpus, J.A.² Truhlar, D.G.³ Cramer, C.J.⁴

64
- 84962425296
- It is likely that the reduction potential for hydroxyurea estimated from cyclic voltametry is not related to one-, but to two-electron transfer processes
- P. Winget C. J. Cramer D. G. Truhlar Theor. Chem. Acc. 2004 112 217
- (2004) Theor. Chem. Acc. , vol.112 , pp. 217
- Winget, P.¹ Cramer, C.J.² Truhlar, D.G.³

65
- 79952905256
- D. I. Pattison R. J. O'Reilly O. Skaff L. Radom R. F. Anderson M. J. Davies Chem. Res. Toxicol. 2011 24 371
- (2011) Chem. Res. Toxicol. , vol.24 , pp. 371
- Pattison, D.I.¹ O'Reilly, R.J.² Skaff, O.³ Radom, L.⁴ Anderson, R.F.⁵ Davies, M.J.⁶

66
- 74849103513
- J. Hioe H. Zipse Faraday Discuss. 2010 145 301
- (2010) Faraday Discuss. , vol.145 , pp. 301
- Hioe, J.¹ Zipse, H.²

67
- 84962424938
- D. A. Dixon J. S. Francisco Y. Alexeev J. Phys. Chem. A 2006 110 185
- (2006) J. Phys. Chem. A , vol.110 , pp. 185
- Dixon, D.A.¹ Francisco, J.S.² Alexeev, Y.³

68
- 31144460773
- J. Lind G. Merenyi J. Phys. Chem. A 2006 110 192
- (2006) J. Phys. Chem. A , vol.110 , pp. 192
- Lind, J.¹ Merenyi, G.²

69
- 79952607624
- J. Hioe G. Savasci H. Brand H. Zipse Chem.-Eur. J. 2011 17 3781
- (2011) Chem.-Eur. J. , vol.17 , pp. 3781
- Hioe, J.¹ Savasci, G.² Brand, H.³ Zipse, H.⁴

70
- 0000543185
- A. G. Baboul L. A. Curtiss P. C. Redfern K. Raghavachari J. Chem. Phys. 1999 110 7650
- (1999) J. Chem. Phys. , vol.110 , pp. 7650
- Baboul, A.G.¹ Curtiss, L.A.² Redfern, P.C.³ Raghavachari, K.⁴

71
- 0012154673
- L. A. Curtiss K. Raghavachari P. C. Redfern V. Rassolov J. A. Pople J. Chem. Phys. 1998 109 7764
- (1998) J. Chem. Phys. , vol.109 , pp. 7764
- Curtiss, L.A.¹ Raghavachari, K.² Redfern, P.C.³ Rassolov, V.⁴ Pople, J.A.⁵

72
- 0037444624
- D. J. Henry M. B. Sullivan L. Radom J. Chem. Phys. 2003 118 4849
- (2003) J. Chem. Phys. , vol.118 , pp. 4849
- Henry, D.J.¹ Sullivan, M.B.² Radom, L.³

73
- 0037194948
- MOLPRO, version 2006.1, a package of ab initio programs written by H.-J. Werner, J. Knowles, G. Knizia, F. R. Manby, M. Schütz, Celani, T. Korona, R. Lindh, A. Mitrushenkov, G. Rauhut, K. R. Shamasundar, T. B. Adler, R. D. Amos, A. Bernhardsson, A. Berning, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, E. Goll, C. Hampel, A. Hesselmann, G. Hetzer, T. Hrenar, G. Jansen, C. Köppl, Y. Liu, A. W. Lloyd, R. A. Mata, A. J. May, S. J. McNicholas, W. Meyer, M. E. Mura, A. Nicklaß, D. O'Neill, Palmieri, K. Pflüger, R. Pitzer, M. Reiher, T. Shiozaki, H. Stoll, A. J. Stone, R. Tarroni, T. Thorsteinsson, M. Wang, A. Wolf; see
- D. J. Henry C. J. Parkinson L. Radom J. Phys. Chem. A 2002 106 7927
- (2002) J. Phys. Chem. A , vol.106 , pp. 7927
- Henry, D.J.¹ Parkinson, C.J.² Radom, L.³

75
- 1842688651
- M. Saunders J. Comput. Chem. 2004 25 621
- (2004) J. Comput. Chem. , vol.25 , pp. 621
- Saunders, M.¹

76
- 36148996172
- V. Vrek O. Kronja M. Saunders J. Chem. Theory Comput. 2007 3 1223
- (2007) J. Chem. Theory Comput. , vol.3 , pp. 1223
- Vrek, V.¹ Kronja, O.² Saunders, M.³

77
- 58449109943
- NBO Version 3.1, E. D. Glendening, A. E. Reed, J. E Carpenter, F. Weinhold
- M. A. Addicoat G. F. Metha J. Comput. Chem. 2009 30 57
- (2009) J. Comput. Chem. , vol.30 , pp. 57
- Addicoat, M.A.¹ Metha, G.F.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.