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Journal of Molecular Modeling

Volumn 19, Issue 9, 2013, Pages 3471-3479

DFT and MP2 study of low barrier proton transfer in hydrazide schiff base tautomers via water bridges and in the gas

(2) Tavakol, Hossein a Farrokhpour, Hossein a

a ISFAHAN UNIVERSITY OF TECHNOLOGY (Iran)

Author keywords

N ethylideneacetohydrazide; Proton transfer; Solvent effect; Tautomer; Water influence

Indexed keywords

HYDRAZIDE; SCHIFF BASE; WATER;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; DIPOLE; ENERGY; EQUILIBRIUM CONSTANT; GAS; GEOMETRY; ISOMER; KINETICS; PRIORITY JOURNAL; PROTON TRANSPORT; SOLVENT EFFECT; TAUTOMER;

EID: 84882881459 PISSN: 16102940 EISSN: 09485023 Source Type: Journal
DOI: 10.1007/s00894-013-1883-z Document Type: Article

Times cited : (7)

References (28)

1
- 0004018410
- 3 Wiley-VCH Weinheim
- Reichardt C (2003) Solvent and solvent effects in organic chemistry, 3rd edn. Wiley-VCH, Weinheim
- (2003) Solvent and Solvent Effects in Organic Chemistry
- Reichardt, C.¹

2
- 11744384413
- 10.1016/0009-2614(95)00905-J 1:CAS:528:DyaK2MXos1Wls7o%3D
- Agmon N (1995) Chem Phys Lett 244:456-472
- (1995) Chem Phys Lett , vol.244 , pp. 456-472
- Agmon, N.¹

3
- 79951546201
- 10.1021/jp107219r 1:CAS:528:DC%2BC3MXht1egtrk%3D
- Chen PT, Wang CC, Jiang JC, Wang HK, Hayashi M (2011) J Phys Chem B 115:1485-1491
- (2011) J Phys Chem B , vol.115 , pp. 1485-1491
- Chen, P.T.¹ Wang, C.C.² Jiang, J.C.³ Wang, H.K.⁴ Hayashi, M.⁵

4
- 0018580517
- 10.1007/BF00405135 1:CAS:528:DyaL3cXhtVCrsrc%3D
- Fujino M, Shinagawa S, Kawai K, Ishii H (1979) Naturwissenschaften 66:625-630
- (1979) Naturwissenschaften , vol.66 , pp. 625-630
- Fujino, M.¹ Shinagawa, S.² Kawai, K.³ Ishii, H.⁴

5
- 37349075840
- 10.1016/j.poly.2007.08.045 1:CAS:528:DC%2BD1cXltlSh
- Xu G, Zhang L, Liu L, Liu G, Jia D (2008) Polyhedron 27:12-19
- (2008) Polyhedron , vol.27 , pp. 12-19
- Xu, G.¹ Zhang, L.² Liu, L.³ Liu, G.⁴ Jia, D.⁵

6
- 30844460173
- 10.1002/jhet.5570430106 1:CAS:528:DC%2BD28XlvVWgtQ%3D%3D
- Burbuliene MM, Bobrovas O, Vainilavicius P (2006) J Heterocycl Chem 43:43-48
- (2006) J Heterocycl Chem , vol.43 , pp. 43-48
- Burbuliene, M.M.¹ Bobrovas, O.² Vainilavicius, P.³

7
- 20744433986
- 10.1016/j.ijantimicag.2005.03.002 1:CAS:528:DC%2BD2MXlvVWlur4%3D
- Ceffrey CR, Schanz M, Nkemngu NJ, Brush M, Hansel E, Cohen FE, Flaherty TM, McKerrow JH, Steverding D (2005) Int J Antimicrob Agents 26:100-112
- (2005) Int J Antimicrob Agents , vol.26 , pp. 100-112
- Ceffrey, C.R.¹ Schanz, M.² Nkemngu, N.J.³ Brush, M.⁴ Hansel, E.⁵ Cohen, F.E.⁶ Flaherty, T.M.⁷ McKerrow, J.H.⁸ Steverding, D.⁹

8
- 57149132089
- 10.1016/j.tetlet.2008.11.003 1:CAS:528:DC%2BD1cXhsFWisLjM
- Chao CS, Cheng CK, Li SH, Chen KM (2009) Tetrahedron Lett 50:333-339
- (2009) Tetrahedron Lett , vol.50 , pp. 333-339
- Chao, C.S.¹ Cheng, C.K.² Li, S.H.³ Chen, K.M.⁴

9
- 33845897100
- 10.1016/j.jorganchem.2006.10.026 1:CAS:528:DC%2BD2sXlsFKksA%3D%3D
- Raveendran R, Pal SJ (2007) Organomet Chem 692:824-832
- (2007) Organomet Chem , vol.692 , pp. 824-832
- Raveendran, R.¹ Pal, S.J.²

10
- 42649087447
- 10.1016/j.poly.2008.03.003
- Singha AK, Kumaria S, Kumarb KR, Sridharb B, Rao TR (2008) Polyhedron 27:1937-1945
- (2008) Polyhedron , vol.27 , pp. 1937-1945
- Singha, A.K.¹ Kumaria, S.² Kumarb, K.R.³ Sridharb, B.⁴ Rao, T.R.⁵

11
- 77953328996
- 10.1134/S1070328410040044 1:CAS:528:DC%2BC3cXlsVyjsbs%3D
- Harikumaran-Nair ML, Thankamani Russ D (2010) J Coord Chem 36:259-265
- (2010) J Coord Chem , vol.36 , pp. 259-265
- Harikumaran-Nair, M.L.¹ Thankamani Russ, D.²

12
- 0035546013
- 10.1023/A:1012060428697 1:CAS:528:DC%2BD3MXosV2iur8%3D
- Nehru K, Attaphan P (2001) Transit Met Chem 26:652-658
- (2001) Transit Met Chem , vol.26 , pp. 652-658
- Nehru, K.¹ Attaphan, P.²

13
- 84858991139
- 10.3390/molecules17032408 1:CAS:528:DC%2BC38Xjs12ru78%3D
- Gwaram NS, Ali HM, Abdulla MA, Buckle MJC, Sukumaran SD, Chung LY, Othman R, Alhadi AA, Yehye WA, Hadi AHA, Hassandarvish P, Khaledi H, Ibrahim S (2012) Molecules 17:2408-2413
- (2012) Molecules , vol.17 , pp. 2408-2413
- Gwaram, N.S.¹ Ali, H.M.² Abdulla, M.A.³ Buckle, M.J.C.⁴ Sukumaran, S.D.⁵ Chung, L.Y.⁶ Othman, R.⁷ Alhadi, A.A.⁸ Yehye, W.A.⁹ Hadi, A.H.A.¹⁰ Hassandarvish, P.¹¹ Khaledi, H.¹² Ibrahim, S.¹³

14
- 77955452816
- 10.1039/c0dt00143k 1:CAS:528:DC%2BC3cXpvFejt7o%3D
- Lin P, Gorelsky S, Savard DT, Burchell J, Wernsdorfer C, Murugesu WRM (2010) Dalton Trans 39:7650-7657
- (2010) Dalton Trans , vol.39 , pp. 7650-7657
- Lin, P.¹ Gorelsky, S.² Savard, D.T.³ Burchell, J.⁴ Wernsdorfer, C.⁵ Murugesu, W.R.M.⁶

15
- 77950052227
- 10.1016/j.molstruc.2010.02.068
- Pytaa K, Przybylskia P, Huczyńskia A, Hoserb A, WoÅoniakb K, Schilfc W, Kamieńskic B, Grechd E, Brzezinski B (2010) J Mol Struct 970:147-154
- (2010) J Mol Struct , vol.970 , pp. 147-154
- Pytaa, K.¹ Przybylskia, P.² Huczyńskia, A.³ Hoserb, A.⁴ Woåoniakb, K.⁵ Schilfc, W.⁶ Kamieńskic, B.⁷ Grechd, E.⁸ Brzezinski, B.⁹

16
- 67349088331
- 10.1007/s00894-008-0435-4 1:CAS:528:DC%2BC3cXlslGitr8%3D
- Tavakol H, Arshadi S (2009) J Mol Model 15:807-816
- (2009) J Mol Model , vol.15 , pp. 807-816
- Tavakol, H.¹ Arshadi, S.²

17
- 80052098920
- 1:CAS:528:DC%2BC3MXhtVKksbrP
- Tavakol H (2011) Int J Quantum Chem 111:3717-3724
- (2011) Int J Quantum Chem , vol.111 , pp. 3717-3724
- Tavakol, H.¹

18
- 75749083809
- Gaussian Inc, Wallingford CT
- Frisch MJ et al. (2009) Gaussian 09 Revision A1 Gaussian Inc, Wallingford CT
- (2009) Gaussian 09 Revision A1
- Frisch, M.J.¹

19
- 11744256643
- 10.1021/cr00031a013 1:CAS:528:DyaK2cXmtlymsbg%3D
- Tomasi J, Persico M (1994) Chem Rev 94:2027-2035
- (1994) Chem Rev , vol.94 , pp. 2027-2035
- Tomasi, J.¹ Persico, M.²

20
- 0031209054
- 10.1063/1.474659 1:CAS:528:DyaK2sXlsVOmtb8%3D
- Cances E, Mennucci B, Tomasi J (1997) J Chem Phys 107:3032-3039
- (1997) J Chem Phys , vol.107 , pp. 3032-3039
- Cances, E.¹ Mennucci, B.² Tomasi, J.³

21
- 84962428785
- 10.1002/(SICI)1096-987X(199803)19:4<404: AID-JCC3>3.0.CO;2-W 1:CAS:528:DyaK1cXhs1aktbs%3D
- Barone V, Cossi M, Tomasi J (1998) J Comput Chem 19:404-412
- (1998) J Comput Chem , vol.19 , pp. 404-412
- Barone, V.¹ Cossi, M.² Tomasi, J.³

22
- 0004277122
- Wiley New York
- Masel RI (2001) Chemical kinetics and catalysis. Wiley, New York
- (2001) Chemical Kinetics and Catalysis
- Masel, R.I.¹

23
- 0001074253
- Wigner EZ (1941) Phys Chem 19:203-216
- (1941) Phys Chem , vol.19 , pp. 203-216
- Wigner, E.Z.¹

24
- 0001573745
- 10.1016/S0009-2614(98)01457-2 1:CAS:528:DyaK1MXhtFKhsbw%3D
- Jolibois F, Grand A, Cadet J, Adamo C, Barone V (1999) Chem Phys Lett 301:255-562
- (1999) Chem Phys Lett , vol.301 , pp. 255-562
- Jolibois, F.¹ Grand, A.² Cadet, J.³ Adamo, C.⁴ Barone, V.⁵

25
- 34249088888
- 10.1021/ja068090g
- Di Labio GA, Johanson ER (2007) J Am Chem Soc 129:6199-6203
- (2007) J Am Chem Soc , vol.129 , pp. 6199-6203
- Di Labio, G.A.¹ Johanson, E.R.²

26
- 80955133914
- 10.1007/s11224-011-9813-0 1:CAS:528:DC%2BC3MXhtFyjtrvN
- Tavakol H (2011) Struct Chem 22:1165-1177
- (2011) Struct Chem , vol.22 , pp. 1165-1177
- Tavakol, H.¹

27
- 84962448845
- 10.1021/jp046132m 1:CAS:528:DC%2BD2MXht1ynsr4%3D
- Markova N, Enchev V, Timtcheva I (2005) J Phys Chem A 109:1981-1989
- (2005) J Phys Chem A , vol.109 , pp. 1981-1989
- Markova, N.¹ Enchev, V.² Timtcheva, I.³

28
- 33751345269
- 10.1021/jp063426u 1:CAS:528:DC%2BD28XhtVelu77K
- Kyrychenko A, Waluk J (2006) J Phys Chem A 110:11958-11965
- (2006) J Phys Chem A , vol.110 , pp. 11958-11965
- Kyrychenko, A.¹ Waluk, J.²

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