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Results: 1-10 |
Results: 10
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
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
THE TELLURIUM DIMER AND ITS ANION
Authors: HEINEMANN C KOCH W WIDMARK PO
Citation: C. Heinemann et al., THE TELLURIUM DIMER AND ITS ANION, Molecular physics, 92(3), 1997, pp. 463-470
THE WATER DIMER INTERACTION ENERGY - CONVERGENCE TO THE BASIS-SET LIMIT AT THE CORRELATED LEVEL
Authors: SCHUTZ M BRDARSKI S WIDMARK PO LINDH R KARLSTROM G
Citation: M. Schutz et al., THE WATER DIMER INTERACTION ENERGY - CONVERGENCE TO THE BASIS-SET LIMIT AT THE CORRELATED LEVEL, The Journal of chemical physics, 107(12), 1997, pp. 4597-4605
ON THE ORIGIN OF THE GAUCHE EFFECT - A QUANTUM-CHEMICAL STUDY OF 1,2-DIFLUOROETHANE
Authors: ENGKVIST O KARLSTROM G WIDMARK PO
Citation: O. Engkvist et al., ON THE ORIGIN OF THE GAUCHE EFFECT - A QUANTUM-CHEMICAL STUDY OF 1,2-DIFLUOROETHANE, Chemical physics letters, 265(1-2), 1997, pp. 19-23
GROUND-STATE AND EXCITED-STATE PROPERTIES OF NEUTRAL AND ANIONIC SELENIUM DIMERS AND TRIMERS
Authors: HEINEMANN C KOCH W LINDNER GG REINEN D WIDMARK PO
Citation: C. Heinemann et al., GROUND-STATE AND EXCITED-STATE PROPERTIES OF NEUTRAL AND ANIONIC SELENIUM DIMERS AND TRIMERS, Physical review. A, 54(3), 1996, pp. 1979-1993
DENSITY-MATRIX AVERAGED ATOMIC NATURAL ORBITAL (ANO) BASIS-SETS FOR CORRELATED MOLECULAR WAVE-FUNCTIONS .3. FIRST ROW TRANSITION-METAL ATOMS
Authors: POUAMERIGO R MERCHAN M NEBOTGIL I WIDMARK PO ROOS BO
Citation: R. Pouamerigo et al., DENSITY-MATRIX AVERAGED ATOMIC NATURAL ORBITAL (ANO) BASIS-SETS FOR CORRELATED MOLECULAR WAVE-FUNCTIONS .3. FIRST ROW TRANSITION-METAL ATOMS, Theoretica Chimica Acta, 92(3), 1995, pp. 149-181
DENSITY-MATRIX AVERAGED ATOMIC NATURAL ORBITAL (ANO) BASIS-SETS FOR CORRELATED MOLECULAR WAVE-FUNCTIONS .4. MEDIUM-SIZE BASIS-SETS FOR THE ATOMS H-KR
Authors: PIERLOOT K DUMEZ B WIDMARK PO ROOS BO
Citation: K. Pierloot et al., DENSITY-MATRIX AVERAGED ATOMIC NATURAL ORBITAL (ANO) BASIS-SETS FOR CORRELATED MOLECULAR WAVE-FUNCTIONS .4. MEDIUM-SIZE BASIS-SETS FOR THE ATOMS H-KR, Theoretica Chimica Acta, 90(2-3), 1995, pp. 87-114
CONFORMATIONAL PROPERTIES AND APPARENT DISSOCIATION-CONSTANTS OF TITRATING POLYELECTROLYTES - MONTE-CARLO SIMULATION AND SCALING ARGUMENTS
Authors: ULLNER M JONSSON B WIDMARK PO
Citation: M. Ullner et al., CONFORMATIONAL PROPERTIES AND APPARENT DISSOCIATION-CONSTANTS OF TITRATING POLYELECTROLYTES - MONTE-CARLO SIMULATION AND SCALING ARGUMENTS, The Journal of chemical physics, 100(4), 1994, pp. 3365-3366
THE CR-2 POTENTIAL-ENERGY CURVE STUDIED WITH MULTICONFIGURATIONAL 2ND-ORDER PERTURBATION-THEORY
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
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