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Results: 1-25 | 26-50 | 51-66
Results: 1-25/66
THEORETICAL-STUDY OF THE STRUCTURAL AND SPECTROSCOPIC PROPERTIES OF STELLACYANIN
Authors: DEKERPEL JOA PIERLOOT K RYDE U ROOS BO
Citation: Joa. Dekerpel et al., THEORETICAL-STUDY OF THE STRUCTURAL AND SPECTROSCOPIC PROPERTIES OF STELLACYANIN, JOURNAL OF PHYSICAL CHEMISTRY B, 102(23), 1998, pp. 4638-4647
ELECTRONIC-SPECTRA OF PHENYLCYCLOPROPANE AND CUMENE CATION RADICALS -INTERPLAY OF EXPERIMENT AND THEORY
Authors: DINNOCENZO JP MERCHAN M ROOS BO SHAIK S ZUILHOF H
Citation: Jp. Dinnocenzo et al., ELECTRONIC-SPECTRA OF PHENYLCYCLOPROPANE AND CUMENE CATION RADICALS -INTERPLAY OF EXPERIMENT AND THEORY, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(45), 1998, pp. 8979-8987
ON THE RELATIVE STABILITY OF TETRAGONAL AND TRIGONAL CU(II) COMPLEXESWITH RELEVANCE TO THE BLUE COPPER PROTEINS
Authors: OLSSON MHM RYDE U ROOS BO PIERLOOT K
Citation: Mhm. Olsson et al., ON THE RELATIVE STABILITY OF TETRAGONAL AND TRIGONAL CU(II) COMPLEXESWITH RELEVANCE TO THE BLUE COPPER PROTEINS, JBIC. Journal of biological inorganic chemistry, 3(2), 1998, pp. 109-125
A THEORETICAL-STUDY OF 10 N-8 ISOMERS
Authors: GAGLIARDI L EVANGELISTI S ROOS BO WIDMARK PO
Citation: L. Gagliardi et al., A THEORETICAL-STUDY OF 10 N-8 ISOMERS, Journal of molecular structure. Theochem, 428, 1998, pp. 1-8
THE OPTICAL-ABSORPTION SPECTRUM OF THE OCTAHEDRAL RHCL63- COMPLEX - AB-INITIO CALCULATIONS OF EXCITATION-ENERGIES AND THE EFFECT OF SPIN-ORBIT-COUPLING
Authors: RIBBING C GILLIAMS B PIERLOOT K ROOS BO KARLSTROM G
Citation: C. Ribbing et al., THE OPTICAL-ABSORPTION SPECTRUM OF THE OCTAHEDRAL RHCL63- COMPLEX - AB-INITIO CALCULATIONS OF EXCITATION-ENERGIES AND THE EFFECT OF SPIN-ORBIT-COUPLING, The Journal of chemical physics, 109(8), 1998, pp. 3145-3152
INTERPRETATION OF THE ELECTRONIC ABSORPTION-SPECTRUM OF FREE-BASE PORPHIN BY USING MULTICONFIGURATIONAL 2ND-ORDER PERTURBATION-THEORY
Authors: SERRANOANDRES L MERCHAN M RUBIO M ROOS BO
Citation: L. Serranoandres et al., INTERPRETATION OF THE ELECTRONIC ABSORPTION-SPECTRUM OF FREE-BASE PORPHIN BY USING MULTICONFIGURATIONAL 2ND-ORDER PERTURBATION-THEORY, Chemical physics letters, 295(3), 1998, pp. 195-203
THE MULTISTATE CASPT2 METHOD
Authors: FINLEY J MALMQVIST PA ROOS BO SERRANOANDRES L
Citation: J. Finley et al., THE MULTISTATE CASPT2 METHOD, Chemical physics letters, 288(2-4), 1998, pp. 299-306
A THEORETICAL-STUDY OF THE N-8 CUBANE TO N-8 PENTALENE ISOMERIZATION REACTION
Authors: GAGLIARDI L EVANGELISTI S WIDMARK PO ROOS BO
Citation: L. Gagliardi et al., A THEORETICAL-STUDY OF THE N-8 CUBANE TO N-8 PENTALENE ISOMERIZATION REACTION, Theoretical chemistry accounts, 97(1-4), 1997, pp. 136-142
THEORETICAL-STUDY OF THE ELECTRONIC-SPECTRUM OF TRANS-STILBENE
Authors: MOLINA V MERCHAN M ROOS BO
Citation: V. Molina et al., THEORETICAL-STUDY OF THE ELECTRONIC-SPECTRUM OF TRANS-STILBENE, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(19), 1997, pp. 3478-3487
A THEORETICAL-STUDY OF THE INDIGOID DYES AND THEIR CHROMOPHORE
Authors: SERRANOANDRES L ROOS BO
Citation: L. Serranoandres et Bo. Roos, A THEORETICAL-STUDY OF THE INDIGOID DYES AND THEIR CHROMOPHORE, Chemistry, 3(5), 1997, pp. 717-725
PHOTOCHEMICAL NITRATION BY TETRANITROMETHANE .40. REGIOCHEMISTRY OF TRINITROMETHYL ATTACHMENT IN THE PHOTOLYSIS OF BENZOFURAN WITH TETRANITROMETHANE
Authors: BUTTS CP EBERSON L GONZALESLUQUE R HARTSHORN CM HARTSHORN MP MERCHAN M ROBINSON WT ROOS BO VALLANCE C WOOD BR
Citation: Cp. Butts et al., PHOTOCHEMICAL NITRATION BY TETRANITROMETHANE .40. REGIOCHEMISTRY OF TRINITROMETHYL ATTACHMENT IN THE PHOTOLYSIS OF BENZOFURAN WITH TETRANITROMETHANE, Acta chemica Scandinavica, 51(10), 1997, pp. 984-999
RADICAL CATIONS OF NONALTERNANT SYSTEMS AS PROBES OF THE SHAIK-PROSS VB CONFIGURATION MIXING MODEL
Authors: EBERSON L GONZALEZLUQUE R MERCHAN M RADNER F ROOS BO SHAIK S
Citation: L. Eberson et al., RADICAL CATIONS OF NONALTERNANT SYSTEMS AS PROBES OF THE SHAIK-PROSS VB CONFIGURATION MIXING MODEL, Perkin transactions. 2, (3), 1997, pp. 463-472
VERTICAL AND ADIABATIC ELECTRONIC EXCITATIONS IN BIPHENYLENE - A THEORETICAL-STUDY
Authors: BECK ME REBENTISCH R HOHLNEICHER G FULSCHER MP SERRANOANDRES L ROOS BO
Citation: Me. Beck et al., VERTICAL AND ADIABATIC ELECTRONIC EXCITATIONS IN BIPHENYLENE - A THEORETICAL-STUDY, The Journal of chemical physics, 107(22), 1997, pp. 9464-9474
A THEORETICAL-STUDY OF THE ELECTRONIC-SPECTRA OF ADENINE AND GUANINE
Authors: FULSCHER MP SERRANOANDRES L ROOS BO
Citation: Mp. Fulscher et al., A THEORETICAL-STUDY OF THE ELECTRONIC-SPECTRA OF ADENINE AND GUANINE, Journal of the American Chemical Society, 119(26), 1997, pp. 6168-6176
THEORETICAL-STUDY OF THE ELECTRONIC-SPECTRUM OF PLASTOCYANIN
Authors: PIERLOOT K DEKERPEL JOA RYDE U ROOS BO
Citation: K. Pierloot et al., THEORETICAL-STUDY OF THE ELECTRONIC-SPECTRUM OF PLASTOCYANIN, Journal of the American Chemical Society, 119(1), 1997, pp. 218-226
MULTICONFIGURATIONAL PERTURBATION-THEORY (CASPT2) APPLIED TO THE STUDY OF THE LOW-LYING SINGLET AND TRIPLET EXCITED-STATES OF CYCLOPROPENE
Authors: GONZALEZLUQUE R MERCHAN M ROOS BO
Citation: R. Gonzalezluque et al., MULTICONFIGURATIONAL PERTURBATION-THEORY (CASPT2) APPLIED TO THE STUDY OF THE LOW-LYING SINGLET AND TRIPLET EXCITED-STATES OF CYCLOPROPENE, Zeitschrift fur Physik. D, Atoms, molecules and clusters, 36(3-4), 1996, pp. 311-316
APPLICATIONS OF LEVEL SHIFT CORRECTED PERTURBATION-THEORY IN ELECTRONIC SPECTROSCOPY
Authors: ROOS BO ANDERSSON K FULSCHER MP SERRANOANDRES L PIERLOOT K MERCHAN M MOLINA V
Citation: Bo. Roos et al., APPLICATIONS OF LEVEL SHIFT CORRECTED PERTURBATION-THEORY IN ELECTRONIC SPECTROSCOPY, Journal of molecular structure. Theochem, 388, 1996, pp. 257-276
A THEORETICAL DETERMINATION OF THE ELECTRONIC-SPECTRUM OF METHYLENECYCLOPROPENE
Authors: MERCHAN M GONZALEZLUQUE R ROOS BO
Citation: M. Merchan et al., A THEORETICAL DETERMINATION OF THE ELECTRONIC-SPECTRUM OF METHYLENECYCLOPROPENE, Theoretica Chimica Acta, 94(3), 1996, pp. 143-154
STRAINED DELOCALIZED CARBENOID RING-SYSTEMS - A THEORETICAL INVESTIGATION
Authors: OLSSON MHM BOROWSKI P ROOS BO
Citation: Mhm. Olsson et al., STRAINED DELOCALIZED CARBENOID RING-SYSTEMS - A THEORETICAL INVESTIGATION, Theoretica Chimica Acta, 93(1), 1996, pp. 17-33
THEORETICAL-STUDY OF THE ELECTRONIC-SPECTRUM OF IMIDAZOLE
Authors: SERRANOANDRES L FULSCHER MP ROOS BO MERCHAN M
Citation: L. Serranoandres et al., THEORETICAL-STUDY OF THE ELECTRONIC-SPECTRUM OF IMIDAZOLE, Journal of physical chemistry, 100(16), 1996, pp. 6484-6491
THE CUPRIC GEOMETRY OF BLUE COPPER PROTEINS IS NOT STRAINED
Authors: RYDE U OLSSON MHM PIERLOOT K ROOS BO
Citation: U. Ryde et al., THE CUPRIC GEOMETRY OF BLUE COPPER PROTEINS IS NOT STRAINED, Journal of Molecular Biology, 261(4), 1996, pp. 586-596
A COMBINED THEORETICAL AND EXPERIMENTAL-DETERMINATION OF THE ELECTRONIC-SPECTRUM OF ACETONE
Authors: MERCHAN M ROOS BO MCDIARMID R XING X
Citation: M. Merchan et al., A COMBINED THEORETICAL AND EXPERIMENTAL-DETERMINATION OF THE ELECTRONIC-SPECTRUM OF ACETONE, The Journal of chemical physics, 104(5), 1996, pp. 1791-1804
THE STRUCTURE OF DICHROMIUM TETRAFORMATE
Authors: ANDERSSON K BAUSCHLICHER CW PERSSON BJ ROOS BO
Citation: K. Andersson et al., THE STRUCTURE OF DICHROMIUM TETRAFORMATE, Chemical physics letters, 257(3-4), 1996, pp. 238-248
A THEORETICAL-STUDY OF THE DISSOCIATION-ENERGY OF NI-2(+) A CASE OF BROKEN SYMMETRY
Authors: MERCHAN M POUAMERIGO R ROOS BO
Citation: M. Merchan et al., A THEORETICAL-STUDY OF THE DISSOCIATION-ENERGY OF NI-2(+) A CASE OF BROKEN SYMMETRY, Chemical physics letters, 252(5-6), 1996, pp. 405-414
DIRECT SELF-CONSISTENT REACTION FIELD WITH PAULI REPULSION - SOLVATION EFFECTS ON METHYLENE PEROXIDE
Authors: BERNHARDSSON A LINDH R KARLSTROM G ROOS BO
Citation: A. Bernhardsson et al., DIRECT SELF-CONSISTENT REACTION FIELD WITH PAULI REPULSION - SOLVATION EFFECTS ON METHYLENE PEROXIDE, Chemical physics letters, 251(3-4), 1996, pp. 141-149
Risultati: 1-25 | 26-50 | 51-66