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Results: 51-66/66
Authors:
FULSCHER MP
ROOS BO
Citation: Mp. Fulscher et Bo. Roos, THE EXCITED-STATES OF PYRAZINE - A BASIS-SET STUDY, Theoretica Chimica Acta, 87(4-5), 1994, pp. 403-413
Authors:
PERSSON BJ
ROOS BO
PIERLOOT K
Citation: Bj. Persson et al., A THEORETICAL-STUDY OF THE CHEMICAL BONDING IN M(CO)(X) (M=CR, FE, AND NI), The Journal of chemical physics, 101(8), 1994, pp. 6810-6821
Authors:
POUAMERIGO R
MERCHAN M
NEBOTGIL I
MALMQVIST PA
ROOS BO
Citation: R. Pouamerigo et al., THE CHEMICAL-BONDS IN CUH, CU-2, NIH, AND NI-2 STUDIED WITH MULTICONFIGURATIONAL 2ND-ORDER PERTURBATION-THEORY, The Journal of chemical physics, 101(6), 1994, pp. 4893-4902
Authors:
ANDERSSON K
ROOS BO
MALMQVIST PA
WIDMARK PO
Citation: K. Andersson et al., THE CR-2 POTENTIAL-ENERGY CURVE STUDIED WITH MULTICONFIGURATIONAL 2ND-ORDER PERTURBATION-THEORY, Chemical physics letters, 230(4-5), 1994, pp. 391-397
Authors:
CANTOS M
MERCHAN M
TOMASVERT F
ROOS BO
Citation: M. Cantos et al., A THEORETICAL-STUDY OF THE GEOMETRY AND ELECTRONIC-SPECTRA OF DIOXIRANE, DIOXYMETHANE AND ITS ANION, Chemical physics letters, 229(3), 1994, pp. 181-190
Authors:
MERCHAN M
ORTI E
ROOS BO
Citation: M. Merchan et al., THEORETICAL DETERMINATION OF THE ELECTRONIC-SPECTRUM OF FREE-BASE PORPHIN, Chemical physics letters, 226(1-2), 1994, pp. 27-36
Authors:
MERCHAN M
ORTI E
ROOS BO
Citation: M. Merchan et al., GROUND-STATE FREE-BASE PORPHIN - C2V OR D2H SYMMETRY - A THEORETICAL CONTRIBUTION, Chemical physics letters, 221(1-2), 1994, pp. 136-144
Authors:
ROOS BO
MERCHAN M
MCDIARMID R
XING X
Citation: Bo. Roos et al., THEORETICAL AND EXPERIMENTAL-DETERMINATION OF THE ELECTRONIC-SPECTRUMOF NORBORNADIENE, Journal of the American Chemical Society, 116(13), 1994, pp. 5927-5936
Authors:
GONZALEZLUQUE R
MERCHAN M
BOROWSKI P
ROOS BO
Citation: R. Gonzalezluque et al., ON THE THEORETICAL DETERMINATION OF THE ELECTRON-AFFINITY OF OZONE, Theoretica Chimica Acta, 86(6), 1993, pp. 467-476
Authors:
ROOS BO
SERRANOANDRES L
MERCHAN M
Citation: Bo. Roos et al., MULTICONFIGURATIONAL 2ND-ORDER PERTURBATION-THEORY APPLIED TO THE CALCULATION OF ELECTRONIC-SPECTRA OF CONJUGATED SYSTEMS, Pure and applied chemistry, 65(8), 1993, pp. 1693-1698
Authors:
PIERLOOT K
VANPRAET E
VANQUICKENBORNE LG
ROOS BO
Citation: K. Pierloot et al., SYSTEMATIC AB-INITIO STUDY OF THE LIGAND-FIELD SPECTRA OF HEXACYANOMETALATE COMPLEXES, Journal of physical chemistry, 97(47), 1993, pp. 12220-12228
Authors:
SERRANOANDRES L
LINDH R
ROOS BO
MERCHAN M
Citation: L. Serranoandres et al., THEORETICAL-STUDY OF THE ELECTRONIC-SPECTRUM OF ALL-TRANS-1,3,5,7-OCTATETRAENE, Journal of physical chemistry, 97(37), 1993, pp. 9360-9368
Authors:
DMITRIEV YY
MITRUSHENKOV AO
FULSCHER MP
ROOS BO
Citation: Yy. Dmitriev et al., A MUTUALLY CONSISTENT PROCEDURE FOR EXCITATION-ENERGIES AND TRANSITION DENSITIES BASED ON THE EXTENDED BRILLOUINS THEOREM, International journal of quantum chemistry, 47(2), 1993, pp. 155-173
Authors:
PIERLOOT K
TSOKOS E
ROOS BO
Citation: K. Pierloot et al., 3P-3D INTERSHELL CORRELATION-EFFECTS IN TRANSITION-METAL IONS, Chemical physics letters, 214(6), 1993, pp. 583-590
Authors:
SERRANOANDRES L
MERCHAN M
FULSCHER M
ROOS BO
Citation: L. Serranoandres et al., A THEORETICAL-STUDY OF THE ELECTRONIC-SPECTRUM OF THIOPHENE, Chemical physics letters, 211(1), 1993, pp. 125-135
Authors:
SERRANOANDRES L
MERCHAN M
NEBOTGIL I
ROOS BO
FULSCHER M
Citation: L. Serranoandres et al., THEORETICAL-STUDY OF THE ELECTRONIC-SPECTRA OF CYCLOPENTADIENE, PYRROLE, AND FURAN, Journal of the American Chemical Society, 115(14), 1993, pp. 6184-6197