Theoretical investigations on structure, electrostatics potentials and vibrational frequencies of Li+-CH3-O-(CH 2-CH2-O)n-CH3(n = 3-7) conformers

Theoretical Chemistry Accounts

Volumn 115, Issue 4, 2006, Pages 308-321

  Dhuaml, Nilesh R ^a   Gejji, Shridhar P ^a  

^a UNIVERSITY OF PUNE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33645746314     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-005-0045-5     Document Type: Article

References (37)

1. Gejji SP, Hermansson K, Tegenfeldt J, Lindgren J (1993) J Phys Chem 97:11402
2. Gejji SP, Suresh CH, Babu K, Gadre SR (1999) J Phys Chem 103:7474
3. Rey L, Johansson P, Lindgren J, Lassegues JC, Grondin J, Servant L (1998) J Phys Chem A 102:3249
4. Lauenstein A, Tegenfeldt J (1998) J Phys Chem B 102:6702
5. Bruce PG, Gray FM (1995) Solid state electrochemistry. Cambridge University Press, New York, p 119
6. MaeCallum JR, Vincent CA (1987) Polymer electrolyte reviews-I. Elsevier, London
7. Redfern PC, Curtiss LA (2002) J Power Sources 110:401
8. Sutjianto A, Curtiss LA, (1998) J Phys Chem A 102:968
9. Frech R, Huang W (1994) Solid State Ionics 72:103
10. Addison CC, Amos DW, Sutton D (1968) J Chem Soc 2285
11. Burger K (1983) Studies in analytical chemistry 6: salvation and complex formation reactions in non-aqueous solvents. Elsevier, Amsterdam
12. Papke BL, Ratner MA, Shiver DF (1982) J Electrochem Soc 129:1694
13. Ratner MA, Shriver DF (1988) Chem Rev 88:1988
14. Gejji SP, Johansson P, Tegenfeldt J, Lindgren J (1995) Comput Polym Sci 5:99
15. Bruce PG, Vincent CA (1993) J Chem Soc Faraday Trans 89:3187
16. Bhattacharja S, Smoot SW, Whitmore DH (1986) Solid State Ionics 18&19:306
17. Arumugam S, Shi J, Tunstall DP, Vincent CA (1993) J Phys Condens Matter 5:153
18. Boden N, Leng SA, Ward IM (1991) Solid State Ionics 45:261
19. Johansson P, Gejji SR Tegenfeldt J, Lindgren J (1996) Solid State Ionics 86-88:297
20. Johansson P, Tegenfeldt J, Lindgren J (1999) Polymer 40:4399
21. Frech R, Huang W (1995) Macromolecules 28:1246
22. Gejji SP, Gadre SR, Barge VJ (2001) Chem Phys Lett 344:527
23. Matsuura H, Fukuhara K, Tamaoki H (1987) J Mol Struct 156:293
24. Matsuura H, Fukuhara K (1986) J Polym Sci B 24:1383
25. Matsuura H, Miyazawa T, Machida K (1973) Spectrochimca Acta 29A:771
26. Frech R, Huang W (1994) Solid State Ionics 72:103
27. Johansson P, Tegenfeldt J, Lindgren J (1998) J Phys Chem A 102:4660
28. Arnaud R, Benrabah D, Sanchez JY (1996) J Phys Chem 100:10882
29. Gadre SR, Bhadane PK, Pundlik SS, Pingale SS (1996) In: Murray JA, Sen K (eds) Molecular electrostatic potentials: concepts and applications. Elsevier, Amsterdam, p 219
30. Suresh CH, Gadre SR, Gejji SP (1998) Theor Chem Acc 99:151
31. Gejji SP, Suresh CH, Bartolotti LJ, Gadre SR (1997) J Phys Chem A 101:5678
32. Gejji SP, Agrawal PR, Dhumal NR (2002) Theor Chem Acc 107:351
33. GAUSSIAN03 package: Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA, Vreven T Jr, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA (2004) Gaussian, Inc., Wallingford CT
34. Limaye AC, Gadre SR (2001) Curr Sci (India) 80:1298
35. Becke D (1993) J Chem Phys 98:5684
36. Lee C, Yang W, Parr RG (1988) Phys Rev B 37:785
37. Ducasse L, Dussauze M, Grondin J, Lassegues JC, Naudin C, Servant L (2003) Phys Chem Chem Phys 5:567