SCOPUS 정보 검색 플랫폼

Volumn 15, Issue 2, 2013, Pages 526-540

Computation of DNP coupling factors of a nitroxide radical in toluene: Seamless combination of MD simulations and analytical calculations

(1) Sezer, Deniz a

a SABANCI UNIVERSITY (Turkey)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84870894990 PISSN: 14639076 EISSN: None Source Type: Journal
DOI: 10.1039/c2cp42430d Document Type: Article

Times cited : (28)

References (53)

1
- 77952896921
- R. G. Griffin T. F. Prisner Phys. Chem. Chem. Phys. 2010 12 5737
- (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 5737
- Griffin, R.G.¹ Prisner, T.F.²

2
- 84870927349
- in, ed. S. Mishra, Wiley-VCH, Verlag, ch. 24, 921-944
- T. Prisner and M. J. Prandolini, in Multifrequency Electron Paramagnetic Resonance, Theory and Applications, ed., S. Mishra, Wiley-VCH, Verlag, 2011, ch. 24, pp. 921-944
- (2011) Multifrequency Electron Paramagnetic Resonance, Theory and Applications
- Prisner, T.¹ Prandolini, M.J.²

3
- 73249129520
- R. Kausik S. Han J. Am. Chem. Soc. 2009 131 18254
- (2009) J. Am. Chem. Soc. , vol.131 , pp. 18254
- Kausik, R.¹ Han, S.²

4
- 67949118702
- B. D. Armstrong S. Han J. Am. Chem. Soc. 2009 131 4641
- (2009) J. Am. Chem. Soc. , vol.131 , pp. 4641
- Armstrong, B.D.¹ Han, S.²

5
- 79954497065
- B. D. Armstrong J. Choi C. López D. A. Wesener W. Hubbell S. Cavagnero S. Han J. Am. Chem. Soc. 2011 133 5987
- (2011) J. Am. Chem. Soc. , vol.133 , pp. 5987
- Armstrong, B.D.¹ Choi, J.² López, C.³ Wesener, D.A.⁴ Hubbell, W.⁵ Cavagnero, S.⁶ Han, S.⁷

6
- 84865117903
- A. Doll E. Bordignon B. Joseph R. Tschaggelar G. Jeschke J. Magn. Reson. 2012 222 34
- (2012) J. Magn. Reson. , vol.222 , pp. 34
- Doll, A.¹ Bordignon, E.² Joseph, B.³ Tschaggelar, R.⁴ Jeschke, G.⁵

7
- 79956007018
- R. Kausik S. Han Phys. Chem. Chem. Phys. 2011 13 7732
- (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 7732
- Kausik, R.¹ Han, S.²

8
- 84861093448
- C. Griesinger M. Bennati H. M. Vieth C. Luchinat G. Parigi P. Höfer F. Engelke S. J. Glaser V. Denysenkov T. F. Prisner Prog. Nucl. Magn. Reson. Spectrosc. 2012 64 4
- (2012) Prog. Nucl. Magn. Reson. Spectrosc. , vol.64 , pp. 4
- Griesinger, C.¹ Bennati, M.² Vieth, H.M.³ Luchinat, C.⁴ Parigi, G.⁵ Höfer, P.⁶ Engelke, F.⁷ Glaser, S.J.⁸ Denysenkov, V.⁹ Prisner, T.F.¹⁰

9
- 41449094103
- P. Höfer G. Parigi C. Luchinat P. Carl G. Guthausen M. Reese T. Carlomagno C. Griesinger M. Bennati J. Am. Chem. Soc. 2008 130 3254
- (2008) J. Am. Chem. Soc. , vol.130 , pp. 3254
- Höfer, P.¹ Parigi, G.² Luchinat, C.³ Carl, P.⁴ Guthausen, G.⁵ Reese, M.⁶ Carlomagno, T.⁷ Griesinger, C.⁸ Bennati, M.⁹

10
- 69949184842
- M. J. Prandolini V. P. Denysenkov M. Gafurov B. Endeward T. F. Prisner J. Am. Chem. Soc. 2009 131 6090
- (2009) J. Am. Chem. Soc. , vol.131 , pp. 6090
- Prandolini, M.J.¹ Denysenkov, V.P.² Gafurov, M.³ Endeward, B.⁴ Prisner, T.F.⁵

11
- 70350279573
- M. Reese M.-T. Türke I. Tkach G. Parigi C. Luchinat T. Marquardsen A. Tavernier P. Höfer F. Engelke C. Griesinger M. Bennati J. Am. Chem. Soc. 2009 131 15086
- (2009) J. Am. Chem. Soc. , vol.131 , pp. 15086
- Reese, M.¹ Türke, M.-T.² Tkach, I.³ Parigi, G.⁴ Luchinat, C.⁵ Marquardsen, T.⁶ Tavernier, A.⁷ Höfer, P.⁸ Engelke, F.⁹ Griesinger, C.¹⁰ Bennati, M.¹¹

12
- 77952948059
- V. Denysenkov M. J. Prandolini M. Gafurov D. Sezer B. Endeward T. F. Prisner Phys. Chem. Chem. Phys. 2010 12 5786
- (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 5786
- Denysenkov, V.¹ Prandolini, M.J.² Gafurov, M.³ Sezer, D.⁴ Endeward, B.⁵ Prisner, T.F.⁶

13
- 77952936175
- A. Krahn P. Lottmann T. Marquardsen A. Tavernier M.-T. Turke M. Reese A. Leonov M. Bennati P. Hoefer F. Engelke C. Griesinger Phys. Chem. Chem. Phys. 2010 12 5830
- (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 5830
- Krahn, A.¹ Lottmann, P.² Marquardsen, T.³ Tavernier, A.⁴ Turke, M.-T.⁵ Reese, M.⁶ Leonov, A.⁷ Bennati, M.⁸ Hoefer, P.⁹ Engelke, F.¹⁰ Griesinger, C.¹¹

14
- 84859419739
- V. Denysenkov T. Prisner J. Magn. Reson. 2012 217 1
- (2012) J. Magn. Reson. , vol.217 , pp. 1
- Denysenkov, V.¹ Prisner, T.²

15
- 84864357654
- P. Lottmann T. Marquardsen A. Krahn A. Tavernier P. Höfer M. Bennati F. Engelke C. Griesinger Appl. Magn. Reson. 2012 43 207
- (2012) Appl. Magn. Reson. , vol.43 , pp. 207
- Lottmann, P.¹ Marquardsen, T.² Krahn, A.³ Tavernier, A.⁴ Höfer, P.⁵ Bennati, M.⁶ Engelke, F.⁷ Griesinger, C.⁸

16
- 0000875969
- Y. Ayant E. Belorizky J. Alizon J. Gallice J. Phys. (Paris) 1975 36 991
- (1975) J. Phys. (Paris) , vol.36 , pp. 991
- Ayant, Y.¹ Belorizky, E.² Alizon, J.³ Gallice, J.⁴

17
- 0000807746
- L.-P. Hwang J. H. Freed J. Chem. Phys. 1975 63 4017
- (1975) J. Chem. Phys. , vol.63 , pp. 4017
- Hwang, L.-P.¹ Freed, J.H.²

18
- 77952899389
- E. V. Kryukov M. E. Newton K. J. Pike D. R. Bolton R. M. Kowalczyk A. P. Howes M. E. Smith R. Dupree Phys. Chem. Chem. Phys. 2010 12 5757
- (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 5757
- Kryukov, E.V.¹ Newton, M.E.² Pike, K.J.³ Bolton, D.R.⁴ Kowalczyk, R.M.⁵ Howes, A.P.⁶ Smith, M.E.⁷ Dupree, R.⁸

19
- 84864356126
- J. Krummenacker V. Denysenkov T. Prisner Appl. Magn. Reson. 2012 43 139
- (2012) Appl. Magn. Reson. , vol.43 , pp. 139
- Krummenacker, J.¹ Denysenkov, V.² Prisner, T.³

20
- 84864373229
- M. Gafurov V. Denysenkov M. Prandolini T. Prisner Appl. Magn. Reson. 2012 43 119
- (2012) Appl. Magn. Reson. , vol.43 , pp. 119
- Gafurov, M.¹ Denysenkov, V.² Prandolini, M.³ Prisner, T.⁴

21
- 84864325958
- M. T. Türke M. Bennati Appl. Magn. Reson. 2012 43 129
- (2012) Appl. Magn. Reson. , vol.43 , pp. 129
- Türke, M.T.¹ Bennati, M.²

22
- 0001554883
- Y. Ayant E. Belorizky P. Fries J. Rosset J. Phys. 1977 38 325
- (1977) J. Phys. , vol.38 , pp. 325
- Ayant, Y.¹ Belorizky, E.² Fries, P.³ Rosset, J.⁴

23
- 0000783198
- P. Fries E. Belorizky J. Phys. 1978 39 1263
- (1978) J. Phys. , vol.39 , pp. 1263
- Fries, P.¹ Belorizky, E.²

24
- 33646719091
- G. Lipari A. Szabo J. Am. Chem. Soc. 1982 104 4546
- (1982) J. Am. Chem. Soc. , vol.104 , pp. 4546
- Lipari, G.¹ Szabo, A.²

25
- 33845553743
- G. Lipari A. Szabo J. Am. Chem. Soc. 1982 104 4559
- (1982) J. Am. Chem. Soc. , vol.104 , pp. 4559
- Lipari, G.¹ Szabo, A.²

26
- 77953065253
- E. Meirovitch Y. E. Shapiro A. Polimeno J. H. Freed Prog. Nucl. Magn. Reson. Spectrosc. 2010 56 360
- (2010) Prog. Nucl. Magn. Reson. Spectrosc. , vol.56 , pp. 360
- Meirovitch, E.¹ Shapiro, Y.E.² Polimeno, A.³ Freed, J.H.⁴

27
- 0036283096
- D. A. Case Acc. Chem. Res. 2002 35 325
- (2002) Acc. Chem. Res. , vol.35 , pp. 325
- Case, D.A.¹

28
- 41149138253
- N. Trbovic B. Kim R. A. Friesner A. G. Palmer Proteins 2008 71 684
- (2008) Proteins , vol.71 , pp. 684
- Trbovic, N.¹ Kim, B.² Friesner, R.A.³ Palmer, A.G.⁴

29
- 42949173001
- D. Sezer J. H. Freed B. Roux J. Chem. Phys. 2008 128 165106
- (2008) J. Chem. Phys. , vol.128 , pp. 165106
- Sezer, D.¹ Freed, J.H.² Roux, B.³

30
- 43949138917
- D. Sezer J. H. Freed B. Roux J. Phys. Chem. B 2008 112 5755
- (2008) J. Phys. Chem. B , vol.112 , pp. 5755
- Sezer, D.¹ Freed, J.H.² Roux, B.³

31
- 52349122099
- D. Sezer J. H. Freed B. Roux J. Phys. Chem. B 2008 112 11014
- (2008) J. Phys. Chem. B , vol.112 , pp. 11014
- Sezer, D.¹ Freed, J.H.² Roux, B.³

32
- 43849097724
- S. C. DeSensi D. Rangel T. P. Lybrand E. J. Hustedt Biophys. J. 2008 94 3798
- (2008) Biophys. J. , vol.94 , pp. 3798
- Desensi, S.C.¹ Rangel, D.² Lybrand, T.P.³ Hustedt, E.J.⁴

33
- 67749091066
- D. Sezer J. H. Freed B. Roux J. Am. Chem. Soc. 2009 131 2597
- (2009) J. Am. Chem. Soc. , vol.131 , pp. 2597
- Sezer, D.¹ Freed, J.H.² Roux, B.³

34
- 79952263337
- E. Kuprusevicius G. White V. S. Oganesyan Faraday Discuss. 2011 148 283
- (2011) Faraday Discuss. , vol.148 , pp. 283
- Kuprusevicius, E.¹ White, G.² Oganesyan, V.S.³

35
- 68349119054
- D. Sezer M. J. Prandolini T. F. Prisner Phys. Chem. Chem. Phys. 2009 11 6626
- (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 6626
- Sezer, D.¹ Prandolini, M.J.² Prisner, T.F.³

36
- 77952937685
- M. Bennati C. Luchinat G. Parigi M.-T. Türke Phys. Chem. Chem. Phys. 2010 12 5902
- (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 5902
- Bennati, M.¹ Luchinat, C.² Parigi, G.³ Türke, M.-T.⁴

37
- 68349090260
- D. Sezer M. Gafurov M. J. Prandolini V. P. Denysenkov T. F. Prisner Phys. Chem. Chem. Phys. 2009 11 6638
- (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 6638
- Sezer, D.¹ Gafurov, M.² Prandolini, M.J.³ Denysenkov, V.P.⁴ Prisner, T.F.⁵

38
- 79951925563
- E. V. Kryukov K. J. Pike T. K. Y. Tam M. E. Newton M. E. Smith R. Dupree Phys. Chem. Chem. Phys. 2011 13 4372
- (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 4372
- Kryukov, E.V.¹ Pike, K.J.² Tam, T.K.Y.³ Newton, M.E.⁴ Smith, M.E.⁵ Dupree, R.⁶

39
- 80053481165
- P. J. M. van Bentum G. H. A. van der Heijden J. A. Villanueva-Garibay A. P. M. Kentgens Phys. Chem. Chem. Phys. 2011 13 17831
- (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 17831
- Van Bentum, P.J.M.¹ Van Der Heijden, G.H.A.² Villanueva-Garibay, J.A.³ Kentgens, A.P.M.⁴

40
- 75749145505
- P. H. Fries D. Imbert A. Melchior J. Chem. Phys. 2010 132 044502
- (2010) J. Chem. Phys. , vol.132 , pp. 044502
- Fries, P.H.¹ Imbert, D.² Melchior, A.³

41
- 77953606320
- P. H. Fries J. Chem. Phys. 2010 132 224103
- (2010) J. Chem. Phys. , vol.132 , pp. 224103
- Fries, P.H.¹

42
- 79952419942
- M.-T. Türke M. Bennati Phys. Chem. Chem. Phys. 2011 13 3630
- (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 3630
- Türke, M.-T.¹ Bennati, M.²

43
- 85012754454
- K. H. Hausser D. Stehlik Adv. Magn. Reson. 1968 3 79
- (1968) Adv. Magn. Reson. , vol.3 , pp. 79
- Hausser, K.H.¹ Stehlik, D.²

44
- 84988117910
- W. Müller-Warmuth K. Meise-Gresch Adv. Magn. Reson. 1983 11 1
- (1983) Adv. Magn. Reson. , vol.11 , pp. 1
- Müller-Warmuth, W.¹ Meise-Gresch, K.²

45
- 0003943480
- Oxford University Press, New York
- A. Abragam, The Principles of Nuclear Magnetism, Oxford University Press, New York, 1961
- (1961) The Principles of Nuclear Magnetism
- Abragam, A.¹

46
- 36149008265
- I. Solomon Phys. Rev. 1955 99 559
- (1955) Phys. Rev. , vol.99 , pp. 559
- Solomon, I.¹

47
- 0026895638
- A. H. Krall J. V. Sengers J. Kestin J. Chem. Eng. Data 1992 37 349
- (1992) J. Chem. Eng. Data , vol.37 , pp. 349
- Krall, A.H.¹ Sengers, J.V.² Kestin, J.³

48
- 27344436659
- J. C. Phillips R. Braun W. Wang J. Gumbart E. Tajkorshid E. Villa C. Chipot R. D. Skeel L. Kale K. Schulten J. Comput. Chem. 2005 26 1781
- (2005) J. Comput. Chem. , vol.26 , pp. 1781
- Phillips, J.C.¹ Braun, R.² Wang, W.³ Gumbart, J.⁴ Tajkorshid, E.⁵ Villa, E.⁶ Chipot, C.⁷ Skeel, R.D.⁸ Kale, L.⁹ Schulten, K.¹⁰

49
- 33645961739
- U. Essmann L. Perera M. L. Berkowitz T. Darden H. Lee L. G. Pedersen J. Chem. Phys. 1995 103 8577
- (1995) J. Chem. Phys. , vol.103 , pp. 8577
- Essmann, U.¹ Perera, L.² Berkowitz, M.L.³ Darden, T.⁴ Lee, H.⁵ Pedersen, L.G.⁶

50
- 33646940952
- J.-P. Ryckaert G. Ciccotti H. J. C. Berendsen J. Comput. Phys. 1977 23 327
- (1977) J. Comput. Phys. , vol.23 , pp. 327
- Ryckaert, J.-P.¹ Ciccotti, G.² Berendsen, H.J.C.³

51
- 0041784950
- A. D. MacKerell D. Bashford Bellott R. L. Dunbrack J. D. Evanseck M. J. Field S. Fischer J. Gao H. Guo S. Ha D. Joseph-McCarthy L. Kuchnir K. Kuczera F. T. K. Lau C. Mattos S. Michnick T. Ngo D. T. Nguyen B. Prodhom W. E. Reiher B. Roux M. Schlenkrich J. C. Smith R. Stote J. Straub M. Watanabe J. Wiórkiewicz-Kuczera D. Yin M. Karplus J. Phys. Chem. B 1998 102 3586
- (1998) J. Phys. Chem. B , vol.102 , pp. 3586
- MacKerell, A.D.¹ Bashford, D.² Bellott³ Dunbrack, R.L.⁴ Evanseck, J.D.⁵ Field, M.J.⁶ Fischer, S.⁷ Gao, J.⁸ Guo, H.⁹ Ha, S.¹⁰ Joseph-McCarthy, D.¹¹ Kuchnir, L.¹² Kuczera, K.¹³ Lau, F.T.K.¹⁴ Mattos, C.¹⁵ Michnick, S.¹⁶ Ngo, T.¹⁷ Nguyen, D.T.¹⁸ Prodhom, B.¹⁹ Reiher, W.E.²⁰ more..

52
- 0000522006
- K. R. Harris J. J. Alexander T. Goscinska R. Malhotra L. A. Woolf J. H. Dymond Mol. Phys. 1993 78 235
- (1993) Mol. Phys. , vol.78 , pp. 235
- Harris, K.R.¹ Alexander, J.J.² Goscinska, T.³ Malhotra, R.⁴ Woolf, L.A.⁵ Dymond, J.H.⁶

53
- 0141704114
- G. Lamoureux A. D. MacKerell, Jr. B. Roux J. Chem. Phys. 2003 119 5185
- (2003) J. Chem. Phys. , vol.119 , pp. 5185
- Lamoureux, G.¹ MacKerell Jr., A.D.² Roux, B.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.