GEOMETRICAL AND ELECTRONIC-STRUCTURE OF HYDRATED CH5+ AND CH5-

被引：17

作者：

CREMASCHI, P ^{[1
]}

SIMONETTA, M ^{[1
]}

机构：

[1] UNIV MILAN,CNR,CTR & PHYS CHEM INST,20133 MILAN,ITALY

来源：

THEORETICA CHIMICA ACTA | 1975年 / 37卷 / 04期

关键词：

D O I：

10.1007/BF01028403

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：341 / 344

页数：4

共 12 条

[1] INFLUENCE OF SOLVATION ON CALCULATED ACTIVATION-ENERGY FOR REACTION CH3F+F-
CREMASCHI, P
SIMONETT.M
GAMBA, A
[J]. THEORETICA CHIMICA ACTA, 1972, 25 (03): : 237 - +
[2] INFLUENCE OF SOLVATION ON PI]-N AND PI]-PI TRANSITION ENERGIES IN MOLECULES CONTAINING AZA OR CARBONYL GROUPS
CREMASCHI, P
GAMBA, A
SIMONETTA, M
[J]. THEORETICA CHIMICA ACTA, 1973, 31 (02): : 155 - 169
[3] Near Hartree-Fock energy and equilibrium geometry of CH5+
Dyczmons, V.
Staemmler, V.
Kutzelnigg, W.
[J]. CHEMICAL PHYSICS LETTERS, 1970, 5 (06) : 361 - 366
[4] AB-INITIO CALCULATIONS OF SMALL HYDRIDES INCLUDING ELECTRON CORRELATION .12. IONS CH+5 AND CH-5
DYCZMONS, V
KUTZELNIGG, W
[J]. THEORETICA CHIMICA ACTA, 1974, 33 (03): : 239 - 247
[5] An investigation of the geometry of the CH(5)(+) ion by the CNDO method
Gamba, A.
Morosi, G.
Simonetta, M.
[J]. CHEMICAL PHYSICS LETTERS, 1969, 3 (01) : 20 - 21
[6] POTENTIAL ENERGY SURFACES OF CH5+ BY NON-EMPIRICAL CALCULATIONS
GUEST, MF
MURRELL, JN
PEDLEY, JB
[J]. MOLECULAR PHYSICS, 1971, 20 (01) : 81 - &
[7] MOLECULAR-ORBITAL THEORY OF SIMPLE CARBONIUM-IONS
HARIHARAN, PC
LATHAN, WA
POPLE, JA
[J]. CHEMICAL PHYSICS LETTERS, 1972, 14 (04) : 385 - +
[8] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .10. SYSTEMATIC STUDY OF GEOMETRIES AND ENERGIES OF AHN MOLECULES AND CATIONS
LATHAN, WA
HEHRE, WJ
CURTISS, LA
POPLE, JA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (24) : 6377 - +
[9] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .10. SYSTEMATIC STUDY OF GEOMETRIES AND ENERGIES OF AHN MOLECULES AND CATIONS
LATHAN, WA
HEHRE, WJ
CURTISS, LA
POPLE, JA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (24) : 6377 - +
[10] The electronic structure and stability of CH5+ and CH5-
Mulder, J. J. C.
Wright, J. S.
[J]. CHEMICAL PHYSICS LETTERS, 1970, 5 (08) : 445 - 449

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