메뉴 건너뛰기




Volumn 17, Issue 8, 2011, Pages 1973-1984

Computational synthesis of hydrogenated fullerenes from C 60 to C 60H 60

Author keywords

Atomic chemical susceptibility; Computational synthesis; Hydrogenated fullerene C 60; Quantum chemistry; Unrestricted broken symmetry approach

Indexed keywords

FULLERENE DERIVATIVE; HYDROGEN;

EID: 80051755260     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0895-1     Document Type: Article
Times cited : (16)

References (38)
  • 1
    • 7544250450 scopus 로고    scopus 로고
    • 10.1002/qua.20015 1:CAS:528:DC%2BD2cXptVygsb8%3D
    • EF Sheka 2004 Int J Quantum Chem 100 375 387 10.1002/qua.20015 1:CAS:528:DC%2BD2cXptVygsb8%3D
    • (2004) Int J Quantum Chem , vol.100 , pp. 375-387
    • Sheka, E.F.1
  • 3
    • 35248818335 scopus 로고    scopus 로고
    • Chemical susceptibility of fullerenes in view of Hartree-Fock approach
    • DOI 10.1002/qua.21358
    • EF Sheka 2007 Int J Quantum Chem 107 2803 2816 10.1002/qua.21358 1:CAS:528:DC%2BD2sXht1WktrnN (Pubitemid 47560669)
    • (2007) International Journal of Quantum Chemistry , vol.107 , Issue.14 , pp. 2803-2816
    • Sheka, E.F.1
  • 4
    • 78649740105 scopus 로고    scopus 로고
    • 10.1134/S1063776110090098
    • EF Sheka 2010 J Exp Theor Phys 111 395 412 10.1134/S1063776110090098
    • (2010) J Exp Theor Phys , vol.111 , pp. 395-412
    • Sheka, E.F.1
  • 5
    • 24544452885 scopus 로고
    • 10.1016/0009-2614(91)80211-F
    • K Balasubramania 1991 Chem Phys Lett 182 257 262 10.1016/0009-2614(91) 80211-F
    • (1991) Chem Phys Lett , vol.182 , pp. 257-262
    • Balasubramania, K.1
  • 6
    • 0001618513 scopus 로고
    • 10.1021/j100067a012 1:CAS:528:DyaK2cXjt1ansrk%3D
    • LD Book GE Scuseria 1994 J Phys Chem 98 4283 4286 10.1021/j100067a012 1:CAS:528:DyaK2cXjt1ansrk%3D
    • (1994) J Phys Chem , vol.98 , pp. 4283-4286
    • Book, L.D.1    Scuseria, G.E.2
  • 7
    • 0028383053 scopus 로고
    • 10.1021/j100058a006 1:CAS:528:DyaK2cXis12ht7c%3D
    • BI Dunlap DW Brenner GW Schriver 1994 J Phys Chem 98 1756 1757 10.1021/j100058a006 1:CAS:528:DyaK2cXis12ht7c%3D
    • (1994) J Phys Chem , vol.98 , pp. 1756-1757
    • Dunlap, B.I.1    Brenner, D.W.2    Schriver, G.W.3
  • 9
    • 0029933201 scopus 로고    scopus 로고
    • Theoretical studies of derivatized buckyballs and buckytubes
    • DOI 10.1016/0040-4020(96)00128-7
    • PA Cahill CM Rohlfing 1996 Tetrahedron 52 5247 5256 10.1016/0040-4020(96) 00128-7 1:CAS:528:DyaK28XitFaku7g%3D (Pubitemid 26098673)
    • (1996) Tetrahedron , vol.52 , Issue.14 , pp. 5247-5256
    • Cahill, P.A.1    Rohlfing, C.M.2
  • 15
    • 0001157402 scopus 로고    scopus 로고
    • Fullerene hydrides based on skew pentagonal pyramidal arrangements of hydrogen atoms
    • DOI 10.1016/0166-1280(95)04446-9
    • BW Clare DL Kepert 1996 J Mol Struct THEOCHEM 363 179 190 10.1016/0166-1280(95)04446-9 1:CAS:528:DyaK28Xjt1Sqs78%3D (Pubitemid 126371886)
    • (1996) Journal of Molecular Structure: THEOCHEM , vol.363 , Issue.2 , pp. 179-190
    • Clare, B.W.1    Kepert, D.L.2
  • 23
    • 0000288609 scopus 로고
    • 10.1021/j100205a031 1:CAS:528:DyaK3sXotVagsw%3D%3D
    • N Matsuzawa T Fukunaga DA Dixon 1992 J Phys Chem 96 10747 10756 10.1021/j100205a031 1:CAS:528:DyaK3sXotVagsw%3D%3D
    • (1992) J Phys Chem , vol.96 , pp. 10747-10756
    • Matsuzawa, N.1    Fukunaga, T.2    Dixon, D.A.3
  • 24
    • 36749108838 scopus 로고
    • 10.1063/1.440939 1:CAS:528:DyaL3MXitFyltb0%3D
    • L Noodleman 1981 J Chem Phys 74 5737 5742 10.1063/1.440939 1:CAS:528:DyaL3MXitFyltb0%3D
    • (1981) J Chem Phys , vol.74 , pp. 5737-5742
    • Noodleman, L.1
  • 25
    • 0000327915 scopus 로고
    • 10.1007/BF00549017 1:CAS:528:DyaE1cXksV2htr8%3D
    • K Takatsuka T Fueno K Yamaguchi 1978 Theor Chim Act 48 175 183 10.1007/BF00549017 1:CAS:528:DyaE1cXksV2htr8%3D
    • (1978) Theor Chim Act , vol.48 , pp. 175-183
    • Takatsuka, K.1    Fueno, T.2    Yamaguchi, K.3
  • 26
    • 0000640204 scopus 로고    scopus 로고
    • 10.1016/S0009-2614(00)01088-5 1:CAS:528:DC%2BD3cXnvVCks7s%3D
    • VN Staroverov ER Davidson 2000 Chem Phys Lett 330 161 168 10.1016/S0009-2614(00)01088-5 1:CAS:528:DC%2BD3cXnvVCks7s%3D
    • (2000) Chem Phys Lett , vol.330 , pp. 161-168
    • Staroverov, V.N.1    Davidson, E.R.2
  • 27
    • 35248899313 scopus 로고    scopus 로고
    • Problems in DFT with the total spin and degenerate states
    • DOI 10.1002/qua.21423
    • I Kaplan 2007 Int J Quantum Chem 107 2595 2603 10.1002/qua.21423 1:CAS:528:DC%2BD2sXht1WktrvM (Pubitemid 47560650)
    • (2007) International Journal of Quantum Chemistry , vol.107 , Issue.14 , pp. 2595-2603
    • Kaplan, I.G.1
  • 29
    • 0000397750 scopus 로고
    • 10.1016/0301-0104(86)80192-6
    • L Noodleman E Davidson 1986 Chem Phys 109 131 143 10.1016/0301-0104(86) 80192-6
    • (1986) Chem Phys , vol.109 , pp. 131-143
    • Noodleman, L.1    Davidson, E.2
  • 30
    • 39149140682 scopus 로고    scopus 로고
    • 10.1016/j.ica.2007.06.007 1:CAS:528:DC%2BD1cXisVKiur8%3D
    • WC Han L Noodelman 2008 Inorg Chim Acta 361 973 986 10.1016/j.ica.2007. 06.007 1:CAS:528:DC%2BD1cXisVKiur8%3D
    • (2008) Inorg Chim Acta , vol.361 , pp. 973-986
    • Han, W.C.1    Noodelman, L.2
  • 31
    • 0000430898 scopus 로고
    • 10.1126/science.253.5017.330 1:CAS:528:DyaK3MXlvVaht7c%3D
    • M Saunders 1991 Science 253 330 331 10.1126/science.253.5017.330 1:CAS:528:DyaK3MXlvVaht7c%3D
    • (1991) Science , vol.253 , pp. 330-331
    • Saunders, M.1
  • 33
    • 0035476625 scopus 로고    scopus 로고
    • Fluorinated fullerenes
    • DOI 10.1002/1521-3765(20011001)7: 19<4074::AID-CHEM4074>3.0.CO;2-U
    • R Taylor 2001 Chem Eur J 7 4074 4084 10.1002/1521-3765(20011001)7: 19<4074::AID-CHEM4074>3.0.CO;2-U 1:CAS:528:DC%2BD3MXnsFOntbo%3D (Pubitemid 32971303)
    • (2001) Chemistry - A European Journal , vol.7 , Issue.19 , pp. 4074-4083
    • Taylor, R.1
  • 34
    • 1242308820 scopus 로고    scopus 로고
    • 10.1016/j.jfluchem.2003.10.012 1:CAS:528:DC%2BD2cXhsFersrs%3D
    • R Taylor 2004 J Fluorine Chem 125 359 368 10.1016/j.jfluchem.2003.10.012 1:CAS:528:DC%2BD2cXhsFersrs%3D
    • (2004) J Fluorine Chem , vol.125 , pp. 359-368
    • Taylor, R.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.