AN EFFICIENT MOLECULAR-ORBITAL APPROACH FOR A SIMULTANEOUS EVALUATION OF THE VIBRATIONAL CIRCULAR-DICHROISM AND ABSORPTION INTENSITIES

被引：7

作者：

POLAVARAPU, PL ^{[1
]}

CHANDRASEKHAR, J ^{[1
]}

机构：

[1] PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907

来源：

CHEMICAL PHYSICS LETTERS | 1981年 / 84卷 / 03期

关键词：

D O I：

10.1016/0009-2614(81)80414-9

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：587 / 592

页数：6

共 26 条

[1] A DYNAMIC POLARIZATION MODEL FOR VIBRATIONAL OPTICAL-ACTIVITY AND THE INFRARED CIRCULAR-DICHROISM OF A DIHYDRO[5]HELICENE [J].

BARNETT, CJ ;

DRAKE, AF ;

KURODA, R ;

MASON, SF .

MOLECULAR PHYSICS, 1980, 41 (02) :455-468

[2]

BARRON LD, 1979, OPTICAL ACTIVITY CHI

[3] ELECTRIC DIPOLE POLARIZABILITY OF ATOMS BY HARTREE-FOCK METHOD .I. THEORY FOR CLOSED-SHELL SYSTEMS [J].

COHEN, HD ;

ROOTHAAN, CC .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S034-+

[4] THEORY OF VIBRATIONAL CIRCULAR-DICHROISM IN TERMS OF VIBRONIC INTERACTIONS [J].

CRAIG, DP ;

THIRUNAMACHANDRAN, T .

MOLECULAR PHYSICS, 1978, 35 (03) :825-840

[5] OPTICAL ACTIVITY OF VIBRATIONAL ORIGIN .2. CONSEQUENCES OF POLYMER CONFORMATION [J].

DEUTSCHE, CW ;

MOSCOWIT.A .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2630-&

[6] OPTICAL ACTIVITY OF VIBRATIONAL ORIGIN .I. A MODEL HELICAL POLYMER [J].

DEUTSCHE, CW ;

MOSCOWIT.A .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (07) :3257-&

[7] LOCALIZED ATOMIC AND MOLECULAR ORBITALS [J].

EDMISTON, C ;

RUEDENBERG, K .

REVIEWS OF MODERN PHYSICS, 1963, 35 (03) :457-&

[8]

FAULKNER TF, 1976, THESIS U MINNESOTA

[9] ANHARMONIC EFFECTS IN VIBRATIONAL CIRCULAR-DICHROISM [J].

FAULKNER, TR ;

MARCOTT, C ;

MOSCOWITZ, A ;

OVEREND, J .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (25) :8160-8168

[10]

FAULKNER TR, 1977, J AM CHEMICAL SOC, V99, P8169

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