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Volumn 47, Issue 3, 2011, Pages 355-362

Quantum-chemical calculations of NMR chemical shifts of organic molecules: II. Influence of medium, relativistic effects, and vibrational corrections on phosphorus magnetic shielding constants in the simplest phosphines and phosphine chalcogenides

(2) Chernyshev, K A a Krivdin, L B a

a A E FAVORSKY IRKUTSK INSTITUTE OF CHEMISTRY (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 79955367720 PISSN: 10704280 EISSN: None Source Type: Journal
DOI: 10.1134/S1070428011030043 Document Type: Article

Times cited : (21)

References (42)

1
- 77955741089
- 10.1134/S1070428010060023 1:CAS:528:DC%2BC3cXos1Wmu7g%3D
- K.A. Chernyshev L.B. Krivdin 2010 Russ. J. Org. Chem. 46 785 10.1134/S1070428010060023 1:CAS:528:DC%2BC3cXos1Wmu7g%3D
- (2010) Russ. J. Org. Chem. , vol.46 , pp. 785
- Chernyshev, K.A.¹ Krivdin, L.B.²

2
- 0000807559
- 1:CAS:528:DyaK38XhtVKgtr0%3D
- B.A. Trofimov T.N. Rakhmatulina N.K. Gusarova S.F. Malysheva 1991 Usp. Khim. 60 2619 1:CAS:528:DyaK38XhtVKgtr0%3D
- (1991) Usp. Khim. , vol.60 , pp. 2619
- Trofimov, B.A.¹ Rakhmatulina, T.N.² Gusarova, N.K.³ Malysheva, S.F.⁴

3
- 27244452266
- Atom-economic synthesis of tris[2-(organylthio)-ethyl]phosphine oxides from phosphine and vinyl sulfides
- DOI 10.1080/104265090885345
- N.K. Gusarova N.I. Ivanova M.V. Bogdanova L.M. Sinegovskaya A.V. Gusarov B.A. Trofimov 2005 Phosphorus, Sulfur Silicon Relat. Elem. 180 1749 10.1080/104265090885345 1:CAS:528:DC%2BD2MXkvVCrtr4%3D (Pubitemid 41512256)
- (2005) Phosphorus, Sulfur and Silicon and the Related Elements , vol.180 , Issue.7 , pp. 1749-1754
- Gusarova, N.K.¹ Ivanova, N.I.² Bogdanova, M.V.³ Sinegovskaya, L.M.⁴ Gusarov, A.V.⁵ Trofimov, B.A.⁶

4
- 0037047527
- A new methodology for synthesis of a chiral phosphinocarboxylic acid through michael cyclization-aldol tandem reaction of chiral α,β, χ,ψ-unsaturated bisphosphine oxide and application in palladium-catalyzed asymmetric allylic alkylation
- DOI 10.1021/jo025725v
- H. Inoue Y. Nagaoka K. Tomioka 2002 J. Org. Chem. 67 5864 10.1021/jo025725v 1:CAS:528:DC%2BD38XltFCqu7w%3D (Pubitemid 34851635)
- (2002) Journal of Organic Chemistry , vol.67 , Issue.16 , pp. 5864-5867
- Inoue, H.¹ Nagaoka, Y.² Tomioka, K.³

5
- 0842287330
- PbSe Nanocrystal Assemblies: Synthesis and Structural, Optical, and Electrical Characterization
- DOI 10.1021/nl0345116
- A. Sashchiuk L. Amirav M. Bashouti M. Krueger U. Sivan E. Lifshitz 2004 Nano Lett. 4 159 10.1021/nl0345116 1:CAS:528:DC%2BD3sXptlOntLc%3D (Pubitemid 38167883)
- (2004) Nano Letters , vol.4 , Issue.1 , pp. 159-165
- Sashchiuk, A.¹ Amirav, L.² Bashouti, M.³ Krueger, M.⁴ Sivan, U.⁵ Lifshitz, E.⁶

6
- 2942557023
- 10.1016/j.hydromet.2004.03.001 1:CAS:528:DC%2BD2cXksFKgs7g%3D
- F.J. Alguacil M. Alonso 2004 Hydrometallurgy 74 157 10.1016/j.hydromet. 2004.03.001 1:CAS:528:DC%2BD2cXksFKgs7g%3D
- (2004) Hydrometallurgy , vol.74 , pp. 157
- Alguacil, F.J.¹ Alonso, M.²

7
- 33744546619
- Ya.A. Vereshchagina E.A. Ishmaeva V.V. Zverev 2005 Usp. Khim. 74 323
- (2005) Usp. Khim. , vol.74 , pp. 323
- Vereshchagina, Ya.A.¹ Ishmaeva, E.A.² Zverev, V.V.³

8
- 2742547978
- 1:CAS:528:DyaL2cXksFGisLY%3D
- R.P. Arshinova 1984 Usp. Khim. 53 595 1:CAS:528:DyaL2cXksFGisLY%3D
- (1984) Usp. Khim. , vol.53 , pp. 595
- Arshinova, R.P.¹

9
- 0000189651
- 10.1063/1.464913 1:CAS:528:DyaK3sXisVWgtrw%3D
- A.D. Becke 1993 J. Chem. Phys. 98 5648 10.1063/1.464913 1:CAS:528:DyaK3sXisVWgtrw%3D
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

10
- 0345491105
- 10.1103/PhysRevB.37.785 1:CAS:528:DyaL1cXktFWrtbw%3D
- C. Lee W. Yang R.G. Parr 1988 Phys. Rev. B 37 785 10.1103/PhysRevB.37.785 1:CAS:528:DyaL1cXktFWrtbw%3D
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

11
- 36849106175
- 10.1063/1.1677088 1:CAS:528:DyaE38XktFWhtbw%3D
- R. Ditchfield 1972 J. Chem. Phys. 56 5688 10.1063/1.1677088 1:CAS:528:DyaE38XktFWhtbw%3D
- (1972) J. Chem. Phys. , vol.56 , pp. 5688
- Ditchfield, R.¹

12
- 0004165142
- Springer Berlin
- Kutzelnigg, W., Fleischer, U., and Schindler, M., NMR Basic Principles and Progress, Berlin: Springer, 1990, vol. 23, p. 165.
- (1990) NMR Basic Principles and Progress , pp. 165
- Kutzelnigg, W.¹ Fleischer, U.² Schindler, M.³

13
- 0004018410
- 2nd ed. VCH Weinheim
- Reichardt, C., Solvents and Solvent Effect in Organic Chemistry, Weinheim: VCH, 1988, 2nd ed.
- (1988) Solvents and Solvent Effect in Organic Chemistry
- Reichardt, C.¹

14
- 59649120691
- 10.1002/mrc.2358 1:CAS:528:DC%2BD1MXhsVCns7o%3D
- A.V. Afonin I.A. Ushakov A.V. Vashchenko D.E. Simonenko A.V. Ivanov A.M. Vasil'tsov A.I. Mikhaleva B.A. Trofimov 2009 Magn. Reson. Chem. 47 105 10.1002/mrc.2358 1:CAS:528:DC%2BD1MXhsVCns7o%3D
- (2009) Magn. Reson. Chem. , vol.47 , pp. 105
- Afonin, A.V.¹ Ushakov, I.A.² Vashchenko, A.V.³ Simonenko, D.E.⁴ Ivanov, A.V.⁵ Vasil'Tsov, A.M.⁶ Mikhaleva, A.I.⁷ Trofimov, B.A.⁸

15
- 35448983669
- 10.1016/S0066-4103(02)45012-0
- Y. Yamamoto 2002 Annu. Rep. NMR Spectrosc. 45 190 10.1016/S0066-4103(02) 45012-0
- (2002) Annu. Rep. NMR Spectrosc. , vol.45 , pp. 190
- Yamamoto, Y.¹

16
- 57349086063
- 1:CAS:528:DC%2BD1cXhsV2js7jP
- N.S. Golubev G.S. Denisov S. Macholl S.N. Smirnov I.G. Shenderovich P.M. Tolstoy 2008 Z. Phys. Chem. 222 1225 1:CAS:528:DC%2BD1cXhsV2js7jP
- (2008) Z. Phys. Chem. , vol.222 , pp. 1225
- Golubev, N.S.¹ Denisov, G.S.² MacHoll, S.³ Smirnov, S.N.⁴ Shenderovich, I.G.⁵ Tolstoy, P.M.⁶

17
- 84961980477
- Quantum mechanical continuum solvation models
- DOI 10.1021/cr9904009
- J. Tomasi B. Mennucci R. Cammi 2005 Chem. Rev. 105 2999 10.1021/cr9904009 1:CAS:528:DC%2BD2MXmsVynurc%3D (Pubitemid 41222791)
- (2005) Chemical Reviews , vol.105 , Issue.8 , pp. 2999-3093
- Tomasi, J.¹ Mennucci, B.² Cammi, R.³

18
- 0021527460
- 31P-NMR chemical shifts and infrared spectra of phosphate diesters
- DOI 10.1002/bip.360231105
- D.B. Lerner W.J. Becktel R. Everett M. Goodman D.R. Kearns 1984 Biopolymers 23 2157 10.1002/bip.360231105 1:CAS:528:DyaL2MXhvFyisg%3D%3D (Pubitemid 15217120)
- (1984) Biopolymers , vol.23 , Issue.11 I , pp. 2157-2172
- Lerner, D.B.¹ Becktel, W.J.² Everett, R.³

19
- 0000882578
- 10.1016/S1386-1425(98)00277-7
- R. Streck A.J. Barnes 1999 Spectrochim. Acta, Part A 55 1049 10.1016/S1386-1425(98)00277-7
- (1999) Spectrochim. Acta, Part A , vol.55 , pp. 1049
- Streck, R.¹ Barnes, A.J.²

20
- 58149218220
- 10.1002/mrc.2350 1:CAS:528:DC%2BD1MXjtFKisg%3D%3D
- K. Dybiec A. Gryff-Keller 2009 Magn. Reson. Chem. 47 63 10.1002/mrc.2350 1:CAS:528:DC%2BD1MXjtFKisg%3D%3D
- (2009) Magn. Reson. Chem. , vol.47 , pp. 63
- Dybiec, K.¹ Gryff-Keller, A.²

21
- 0038218089
- 10.1021/cr00085a006 1:CAS:528:DyaL1cXhvFartLY%3D
- P. Pyykko 1988 Chem. Rev. 88 563 10.1021/cr00085a006 1:CAS:528: DyaL1cXhvFartLY%3D
- (1988) Chem. Rev. , vol.88 , pp. 563
- Pyykko, P.¹

22
- 3042640517
- M. Kaupp M. Bühl V.G. Malkin (eds). Wiley Weinheim
- Calculation of NMR and EPR Parameters. Theory and Applications, Kaupp, M., Bühl, M., and Malkin, V.G., Weinheim: Wiley, 2004.
- (2004) Calculation of NMR and EPR Parameters. Theory and Applications

23
- 0000584523
- 10.1021/cr960017t 1:CAS:528:DyaK1cXotFajurY%3D
- T. Helgaker M. Jaszuński K. Ruud 1999 Chem. Rev. 99 293 10.1021/cr960017t 1:CAS:528:DyaK1cXotFajurY%3D
- (1999) Chem. Rev. , vol.99 , pp. 293
- Helgaker, T.¹ Jaszuński, M.² Ruud, K.³

24
- 67650487457
- 10.1016/S0066-4103(09)06701-5 1:CAS:528:DC%2BD1MXhsFaru7fP
- J. Autschbach S. Zheng 2009 Annu. Rep. NMR Spectrosc. 67 1 10.1016/S0066-4103(09)06701-5 1:CAS:528:DC%2BD1MXhsFaru7fP
- (2009) Annu. Rep. NMR Spectrosc. , vol.67 , pp. 1
- Autschbach, J.¹ Zheng, S.²

25
- 0001219781
- Quadratic response calculations of the electronic spin-orbit contribution to nuclear shielding tensors
- DOI 10.1063/1.476672, PII S0021960698302287
- J. Vaara K. Ruud O. Vahtras H. Ågren J. Jokisaari 1998 J. Chem. Phys. 109 1212 10.1063/1.476672 (Pubitemid 128678536)
- (1998) Journal of Chemical Physics , vol.109 , Issue.4 , pp. 1212-1222
- Vaara, J.¹ Ruud, K.² Vahtras, O.³ Agren, H.⁴ Jokisaari, J.⁵

26
- 36148931496
- 10.1016/0003-4916(74)90333-9 1:CAS:528:DyaE2cXhtVSnsb0%3D
- M. Douglas N.M. Kroll 1974 Ann. Phys. (N.Y.) 82 89 10.1016/0003-4916(74) 90333-9 1:CAS:528:DyaE2cXhtVSnsb0%3D
- (1974) Ann. Phys. (N.Y.) , vol.82 , pp. 89
- Douglas, M.¹ Kroll, N.M.²

27
- 26544478463
- 10.1103/PhysRevA.33.3742 1:CAS:528:DyaL28XktlSgs7s%3D
- B.A. Hess 1986 Phys. Rev. A 33 3742 10.1103/PhysRevA.33.3742 1:CAS:528:DyaL28XktlSgs7s%3D
- (1986) Phys. Rev. A , vol.33 , pp. 3742
- Hess, B.A.¹

28
- 0000204404
- 10.1063/1.478680 1:CAS:528:DyaK1MXit1yhsL4%3D
- S.K. Wolff T. Ziegler E. van Lenthe E.J. Baerends 1999 J. Chem. Phys. 110 7689 10.1063/1.478680 1:CAS:528:DyaK1MXit1yhsL4%3D
- (1999) J. Chem. Phys. , vol.110 , pp. 7689
- Wolff, S.K.¹ Ziegler, T.² Van Lenthe, E.³ Baerends, E.J.⁴

29
- 0036850742
- Calculation of nuclear magnetic shieldings. XV - Ab initio zeroth-order regular approximation method
- DOI 10.1063/1.1510118
- H. Fukui T. Baba 2002 J. Chem. Phys. 117 7836 10.1063/1.1510118 1:CAS:528:DC%2BD38XnvFOjs7Y%3D (Pubitemid 35355045)
- (2002) Journal of Chemical Physics , vol.117 , Issue.17 , pp. 7836-7844
- Fukui, H.¹ Baba, T.²

30
- 3843146349
- 10.1063/1.464303 1:CAS:528:DyaK3sXhtlans7Y%3D
- D.E. Woon T.H. Dunning Jr. 1993 J. Chem. Phys. 98 1358 10.1063/1.464303 1:CAS:528:DyaK3sXhtlans7Y%3D
- (1993) J. Chem. Phys. , vol.98 , pp. 1358
- Woon, D.E.¹ Dunning, Jr.T.H.²

31
- 33746614482
- 10.1063/1.456153 1:CAS:528:DyaL1MXksVGmtrk%3D
- T.H. Dunning Jr. 1989 J. Chem. Phys. 90 1007 10.1063/1.456153 1:CAS:528:DyaL1MXksVGmtrk%3D
- (1989) J. Chem. Phys. , vol.90 , pp. 1007
- Dunning, Jr.T.H.¹

32
- 0037833475
- 10.1002/jcc.10255
- E. Van Lenthe E.J. Baerends 2003 J. Comput. Chem. 24 1142 10.1002/jcc.10255
- (2003) J. Comput. Chem. , vol.24 , pp. 1142
- Van Lenthe, E.¹ Baerends, E.J.²

33
- 0003926839
- Wiley New York
- Jensen, F., Introduction to Computational Chemistry, New York: Wiley, 1998.
- (1998) Introduction to Computational Chemistry
- Jensen, F.¹

34
- 0034657934
- 10.1039/b000461h
- C.V. Wüllen 2000 Phys. Chem. Chem. Phys. 2 2137 10.1039/b000461h
- (2000) Phys. Chem. Chem. Phys. , vol.2 , pp. 2137
- Wüllen, C.V.¹

35
- 0000342820
- 10.1063/1.480525 1:CAS:528:DC%2BD3cXhtlWjsrY%3D
- R.D. Wigglesworth W.T. Raynes S. Kirpekar J. Oddershede S.P.A. Sauer 2000 J. Chem. Phys. 112 3735 10.1063/1.480525 1:CAS:528:DC%2BD3cXhtlWjsrY%3D
- (2000) J. Chem. Phys. , vol.112 , pp. 3735
- Wigglesworth, R.D.¹ Raynes, W.T.² Kirpekar, S.³ Oddershede, J.⁴ Sauer, S.P.A.⁵

36
- 0038340978
- 10.1063/1.1569846 1:CAS:528:DC%2BD3sXjvVGrtL8%3D
- T.A. Ruden O.B. Lutnæs T. Helgaker K. Ruud 2003 J. Chem. Phys. 118 9572 10.1063/1.1569846 1:CAS:528:DC%2BD3sXjvVGrtL8%3D
- (2003) J. Chem. Phys. , vol.118 , pp. 9572
- Ruden, T.A.¹ Lutnæs, O.B.² Helgaker, T.³ Ruud, K.⁴

37
- 0001574692
- Calculation of the vibrational wave function of polyatomic molecules
- DOI 10.1063/1.480840
- P.-O. Åstrand K. Ruud P.R. Taylor 2000 J. Chem. Phys. 112 2655 10.1063/1.480840 (Pubitemid 33640688)
- (2000) Journal of Chemical Physics , vol.112 , Issue.6 , pp. 2655-2667
- Astrand, P.-O.¹ Ruud, K.² Taylor, P.R.³

38
- 0000978687
- An efficient approach for calculating vibrational wave functions and zero-point vibrational corrections to molecular properties of polyatomic molecules
- DOI 10.1063/1.480841
- K. Ruud P.-O. Åstrand P.R. Taylor 2000 J. Chem. Phys. 112 2668 10.1063/1.480841 1:CAS:528:DC%2BD3cXovFSkug%3D%3D (Pubitemid 33640689)
- (2000) Journal of Chemical Physics , vol.112 , Issue.6 , pp. 2668-2683
- Ruud, K.¹ Astrand, P.-O.² Taylor, P.R.³

40
- 25444462719
- Dalton
- Dalton. A Molecular Electronic Structure Program, Release 2.0, 2005; http://www.kjemi.uio.no/software/dalton/dalton.html.
- (2005) A Molecular Electronic Structure Program, Release 2.0

41
- 84893169025
- 10.1002/jcc.540141112 1:CAS:528:DyaK2cXhsFaqtQ%3D%3D
- M.W. Schmidt K.K. Baldridge J.A. Boatz S.T. Elbert M.S. Gordon J.H. Jensen S. Koseki N. Matsunaga K.A. Nguyen S.J. Su T.L. Windus M. Dupuis J.A. Montgomery 1993 J. Comput. Chem. 14 1347 10.1002/jcc.540141112 1:CAS:528:DyaK2cXhsFaqtQ%3D%3D
- (1993) J. Comput. Chem. , vol.14 , pp. 1347
- Schmidt, M.W.¹ Baldridge, K.K.² Boatz, J.A.³ Elbert, S.T.⁴ Gordon, M.S.⁵ Jensen, J.H.⁶ Koseki, S.⁷ Matsunaga, N.⁸ Nguyen, K.A.⁹ Su, S.J.¹⁰ Windus, T.L.¹¹ Dupuis, M.¹² Montgomery, J.A.¹³

42
- 45749114282
- ADF2009.01
- ADF2009.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands; http://www.scm.com.
- SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, the Netherlands

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