ISOCYANOGEN (NCNC) AND DIISOCYANOGEN (CNNC) - STRUCTURES AND SOME SPECTROSCOPIC PROPERTIES

被引:55
作者
NGUYEN, MT
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D O I
10.1016/0009-2614(89)87276-8
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 ;
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页码:430 / 435
页数:6
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共 25 条
[1]   ROTATIONAL AND VIBRATIONAL STRUCTURE OF 2500A SYSTEM OF CYANOGEN [J].
CARTWRIGHT, GJ ;
OHARE, D ;
WALSH, AD ;
WARSOP, PA .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1971, 39 (03) :393-+
[2]   MICROWAVE-SPECTRUM AND MOLECULAR-STRUCTURE OF VINYL ISOCYANIDE - EXPERIMENTAL AND THEORETICAL EVALUATION OF CONJUGATION [J].
CHANG, TA ;
HARMONY, MD ;
STALEY, SW .
JOURNAL OF MOLECULAR STRUCTURE, 1988, 190 :17-29
[3]   EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS SETS FOR ANION CALCULATIONS. III. THE 3-21+G BASIS SET FOR FIRST-ROW ELEMENTS, LI-F [J].
CLARK, T ;
CHANDRASEKHAR, J ;
SPITZNAGEL, GW ;
SCHLEYER, PV .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (03) :294-301
[4]   MICROWAVE SPECTRUM, MOLECULAR STRUCTURE OF VINYL CYANIDE AND A SUMMARY OF CC, CH BOND LENGTHS IN SIMPLE MOLECULES [J].
COSTAIN, CC ;
STOICHEFF, BP .
JOURNAL OF CHEMICAL PHYSICS, 1959, 30 (03) :777-782
[5]   DETERMINATION OF MOLECULAR STRUCTURES FROM GROUND STATE ROTATIONAL CONSTANTS [J].
COSTAIN, CC .
JOURNAL OF CHEMICAL PHYSICS, 1958, 29 (04) :864-874
[7]   THEORETICAL MOLECULAR-STRUCTURES AND ELECTRIC-DIPOLE MOMENTS OF CCCNH, HCCNC, HCCCNH+, NCNC, AND NCCNH+ [J].
HAESE, NN ;
WOODS, RC .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (09) :4521-4527
[8]   CONFORMATIONAL-ANALYSIS .5. MOLECULAR-STRUCTURE, COMPOSITION, TRANS-GAUCHE ENERGY AND ENTROPY DIFFERENCES, AND POTENTIAL HINDERING INTERNAL-ROTATION OF GASEOUS FORMALDAZINE AS DETERMINED BY ELECTRON-DIFFRACTION [J].
HAGEN, K ;
BONDYBEY, V ;
HEDBERG, K .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (05) :1365-1368
[9]   THE ELIMINATION OF SINGULARITIES IN DERIVATIVE CALCULATIONS [J].
HANDY, NC ;
AMOS, RD ;
GAW, JF ;
RICE, JE ;
SIMANDIRAS, ED .
CHEMICAL PHYSICS LETTERS, 1985, 120 (02) :151-158
[10]   INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J].
HARIHARA.PC ;
POPLE, JA .
THEORETICA CHIMICA ACTA, 1973, 28 (03) :213-222