ABINITIO SCF-CL CALCULATION ON FREE BASE PORPHIN AND CHLORIN - THEORETICAL-ANALYSIS ON INTENSITIES OF THE ABSORPTION-SPECTRA

被引:103
作者
NAGASHIMA, U [1 ]
TAKADA, T [1 ]
OHNO, K [1 ]
机构
[1] HOKKAIDO UNIV, DEPT CHEM, SAPPORO, HOKKAIDO 060, JAPAN
关键词
D O I
10.1063/1.451773
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
收藏
页码:4524 / 4529
页数:6
相关论文
共 28 条
[1]   AB-INITIO CALCULATIONS ON PORPHIN [J].
ALMLOF, J .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (06) :915-924
[2]  
Falk J.E., 1964, PORPHYRINS METALLOPO
[3]  
Gershgorn Z., 1968, INT J QUANTUM CHEM, V2, P751
[4]   SPECTRA OF PORPHYRINS [J].
GOUTERMAN, M .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1961, 6 (01) :138-&
[5]  
Gouterman M., 1978, PORPHYRINS, V3
[6]   CRYSTAL AND MOLECULAR STRUCTURE OF PHYLLOCHLORINE ESTER [J].
HOPPE, W ;
WILL, G ;
GASSMANN, J ;
WEICHSEL.H .
ZEITSCHRIFT FUR KRISTALLOGRAPHIE KRISTALLGEOMETRIE KRISTALLPHYSIK KRISTALLCHEMIE, 1969, 128 (1-2) :18-&
[7]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&
[8]   THEORETICAL EXCITATION-ENERGIES OF THE LOWEST QUARTET STATES OF NITROGEN-DIOXIDE [J].
JACKELS, CF .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (10) :4664-4668
[9]  
KAIZU Y, COMMUNICATION
[10]  
KASHIWAGI H, 1979, PROGRAM PACKAGE JAMO