THEORETICAL PREDICTION OF VIBRATIONAL-SPECTRA - THE OUT-OF-PLANE FORCE-FIELD AND VIBRATIONAL-SPECTRA OF PYRIDINE

被引：41

作者：

PONGOR, G

FOGARASI, G

BOGGS, JE

PULAY, P

机构：

[1] UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712

[2] UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 1985年 / 114卷 / 02期

关键词：

D O I：

10.1016/0022-2852(85)90237-1

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

引用

页码：445 / 453

页数：9

共 34 条

[11]

KOVNER MA, 1961, OPT SPEKTROSK+, V10, P457

[12] IR SPECTRA OF CRYSTALLIZED PYRIDINE AT LIQUID NITROGEN TEMPERATURES [J].

LOISEL, J ;

LORENZEL.V .

JOURNAL OF MOLECULAR STRUCTURE, 1967, 1 (02) :157-&

[13] SPECTROSCOPIC AND THERMODYNAMIC STUDIES OF PYRIDINE COMPOUNDS .4. NORMAL CO-ORDINATE CALCULATIONS FOR PYRIDINE-2,6-D2, PYRIDINE-3,5-D2 AND PYRIDINE-4-DU [J].

LONG, DA ;

THOMAS, EL .

TRANSACTIONS OF THE FARADAY SOCIETY, 1963, 59 (484) :783-&

[14] SPECTROSCOPIC AND THERMODYNAMIC STUDIES OF PYRIDINE COMPOUNDS .2. NORMAL CO-ORDINATE CALCULATIONS FOR PYRIDINE AND PYRIDINE-D5 [J].

LONG, DA ;

MURFIN, FS ;

THOMAS, EL .

TRANSACTIONS OF THE FARADAY SOCIETY, 1963, 59 (481) :12-&

[15] PYRIDINE - EXPERIMENTAL AND CALCULATED CHEMICAL THERMODYNAMIC PROPERTIES BETWEEN 0-DEGREES-K AND 1500-DEGREES-K - A REVISED VIBRATIONAL ASSIGNMENT [J].

MCCULLOUGH, JP ;

DOUSLIN, DR ;

MESSERLY, JF ;

HOSSENLOPP, IA ;

KINCHELOE, TC ;

WADDINGTON, G .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1957, 79 (16) :4289-4295

[16]

Mulliken R. S., 1997, J CHEM PHYS, V23, DOI DOI 10.1063/1.1740655)

[17]

NIU Z, 1984, J MOL STRUC-THEOCHEM, V109, P381

[18] THEORETICAL PREDICTION OF VIBRATIONAL-SPECTRA .3. THE HARMONIC FORCE-FIELD AND VIBRATIONAL-SPECTRA OF ANILINE, ANILINE-NHD, AND ANILINE-ND2 [J].

NIU, ZF ;

DUNN, KM ;

BOGGS, JE .

MOLECULAR PHYSICS, 1985, 55 (02) :421-432

[19] THEORETICAL PREDICTION OF VIBRATIONAL-SPECTRA .1. THE INPLANE FORCE-FIELD AND VIBRATIONAL-SPECTRA OF PYRIDINE [J].

PONGOR, G ;

PULAY, P ;

FOGARASI, G ;

BOGGS, JE .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (10) :2765-2769

[20] AB INITIO CALCULATION OF FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES IN POLYATOMIC MOLECULES .I. THEORY [J].

PULAY, P .

MOLECULAR PHYSICS, 1969, 17 (02) :197-&

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