1ST-PRINCIPLE CALCULATIONS OF THE IONIZATION-POTENTIALS AND ELECTRON-AFFINITIES OF THE SPHEROIDAL MOLECULES C-60 AND LAC60

被引：94

作者：

ROSEN, A ^{[1
]}

WASTBERG, B ^{[1
]}

机构：

[1] GOTHENBURG UNIV, S-41296 GOTHENBURG, SWEDEN

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1988年 / 110卷 / 26期

关键词：

D O I：

10.1021/ja00234a024

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：8701 / 8703

页数：3

共 26 条

[1] CALCULATIONS OF THE IONIZATION THRESHOLDS AND ELECTRON-AFFINITIES OF THE NEUTRAL, POSITIVELY AND NEGATIVELY CHARGED C-60 FOLLENE-60
ROSEN, A
WASTBERG, B
JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (04): : 2525 - 2526
[2] A RELIABLE AND INEXPENSIVE METHOD FOR CALCULATING IONIZATION-POTENTIALS AND ELECTRON-AFFINITIES OF RADICALS AND MOLECULES
DANOVICH, D
APELOIG, Y
SHAIK, S
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1993, (03): : 321 - 330
[3] RAYLEIGH-SCHRODINGER AND GREENS-FUNCTION CALCULATIONS OF IONIZATION-POTENTIALS AND ELECTRON-AFFINITIES
HERNANDEZ, AJ
LANGHOFF, PW
CHEMICAL PHYSICS LETTERS, 1977, 49 (03) : 421 - 426
[4] APPLICATION OF THE PPP METHOD TO THE CALCULATION OF IONIZATION-POTENTIALS AND ELECTRON-AFFINITIES OF CONJUGATED ORGANIC-MOLECULES
SELSBY, RG
PENNANCE, P
BARNHARD, KI
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1990, 37 (04) : 539 - 546
[5] IONIZATION-POTENTIALS AND ELECTRON-AFFINITIES OF ORGANIC-MOLECULES FROM ELECTRONIC CHARGE-TRANSFER SPECTRA
GABER, M
ELMORSI, MA
ABDELGHAFAR, M
JOURNAL OF THE CHEMICAL SOCIETY OF PAKISTAN, 1988, 10 (02): : 125 - 129
[6] OVERLAPPING SPHERES X-ALPHA CALCULATIONS OF THE ELECTRON-AFFINITIES AND IONIZATION-POTENTIALS OF ETHYLENE, PARABENZOQUINONE AND THEIR PERFLUORO DERIVATIVES
BLOOR, JE
PAYSEN, RA
SHERROD, RE
CHEMICAL PHYSICS LETTERS, 1979, 60 (03) : 476 - 482
[7] MS-X ALPHA CALCULATIONS OF ELECTRON-AFFINITIES AND IONIZATION-POTENTIALS OF SOME HEAVY-METALS AND THEIR HYDRIDES AND FLUORIDES
PRESTON, HJT
KAUFMAN, JJ
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, 12 (03) : 471 - 484
[8] OVERLAPPING SPHERES MULTIPLE-SCATTERING X-ALPHA CALCULATIONS OF IONIZATION-POTENTIALS AND ELECTRON-AFFINITIES OF NITROGEN-OXIDES
BLOOR, JE
SHERROD, RE
PAYSEN, RA
CHEMICAL PHYSICS LETTERS, 1978, 54 (02) : 309 - 313
[9] Semiclassical calculations of the cross section for electron-impact ionization of C-60
Deutsch, H
Becker, K
Pittner, J
BonacicKoutecky, V
Matt, S
Mark, TD
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1996, 29 (21) : 5175 - 5181
[10] DVM-X-ALPHA CALCULATIONS ON THE IONIZATION-POTENTIALS OF MX-(K+1) COMPLEX ANIONS AND THE ELECTRON-AFFINITIES OF MXK+1 SUPERHALOGENS
GUTSEV, GL
BOLDYREV, AI
CHEMICAL PHYSICS, 1981, 56 (03) : 277 - 283

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