CNDO-2-VN-1 POTENTIAL METHOD FOR STUDYING MOLECULAR-PROPERTIES IN THE EXCITED-STATES - A COMPARATIVE-STUDY ON THE EXCITED SINGLET AND TRIPLET N-PI-STAR STATES OF SOME THIOCARBONYLS

被引：10

作者：

BANERJEE, M

BHATTACHARYYA, SP

机构：

[1] INDIAN ASSOC CULTIVAT SCI,DEPT PHYS CHEM,THEORY GRP,CALCUTTA 700032,INDIA

[2] UNIV BURDWAN,DEPT CHEM,BURDWAN 713101,W BENGAL,INDIA

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1980年 / 84卷 / 22期

关键词：

D O I：

10.1021/j100459a003

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：2843 / 2847

页数：5

共 18 条

[1] 5340 A BAND SYSTEM OF THIOCARBONYL CHLORIDE [J].

BRAND, JCD ;

CALLOMON, JH ;

MOULE, DC ;

TYRRELL, J ;

GOODWIN, TH .

TRANSACTIONS OF THE FARADAY SOCIETY, 1965, 61 (515P) :2365-&

[2]

DELBENE J, 1968, J CHEM PHYS, V48, P4050

[3] USE OF CNDO METHOD IN SPECTROSCOPY .3. MONOSUBSTITUTED BENZENES AND PYRIDINES [J].

DELBENE, J ;

JAFFE, HH .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (03) :1221-&

[4]

DELBENE J, 1968, J CHEM PHYS, V48, P1807

[5] COMMENTS ON LOWEST IONIZATION POTENTIALS OF SOME NITROGEN HETEROCYCLICS [J].

DELBENE, J ;

JAFFE, HH .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (01) :563-&

[6] VIRTUAL ORBITALS IN HARTREE-FOCK THEORY .2. [J].

HUZINAGA, S ;

ARNAU, C .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (05) :1948-&

[7] VIRTUAL ORBITALS IN HARTREE-FOCK THEORY [J].

HUZINAGA, S ;

ARNAU, C .

PHYSICAL REVIEW A, 1970, 1 (05) :1285-&

[8] ABINITIO SCF-MO CALCULATIONS OF THE POTENTIAL SURFACES OF THIOCARBONYLS .2. H2CS, HFCS, CLFCS, AND CL2CS [J].

KAPUR, A ;

STEER, RP ;

MEZEY, PG .

JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (02) :745-748

[9] ABINITIO SCF-MO CALCULATIONS OF POTENTIAL SURFACES OF THIOCARBONYLS .1. X1A1 AND A3A2 ELECTRONIC AND A3A2(B1) VIBRATIONAL-STATES OF F2CS [J].

KAPUR, A ;

STEER, RP ;

MEZEY, PG .

JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (03) :968-975

[10] VIBRONIC ANALYSIS OF ALPHA3 A2 ]-CHIX1 A1,PI] ]- ELECTRONIC TRANSITION IN THIOPHOSGENE [J].

MOULE, DC ;

SUBRAMANIAM, CR .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1973, 48 (02) :336-345

← 1 2 →