Kurt Valentin Mikkelsen
Professor
- 2002
- Published
Dipole and quadrupole moments of liquid water calculated within the coupled cluster/molecular mechanics method
Kongsted, J., Osted, A. I., Mikkelsen, Kurt Valentin & Christiansen, O., 2002, In: Chemical Physics Letters. 364, p. 379-386Research output: Contribution to journal › Journal article › Research › peer-review
- Published
The QM/MM approach for wavefunctions, energies and response functions within self-consistent field and coupled cluster theories
Kongsted, J., Osted, A. I., Mikkelsen, Kurt Valentin & Christiansen, O., 2002, In: Molecular Physics. 100, p. 1813-1828Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Electric field gradients of water: A systematic investigation of basis set, electron correlation, and rovibrational effects
Olsen, L., Christiansen, O., Hemmingsen, L., Sauer, Stephan P. A. & Mikkelsen, Kurt Valentin, 2002, In: Journal of Chemical Physics. 116, p. 1424-1434Research output: Contribution to journal › Journal article › Research › peer-review
- 2001
- Published
A phase-space method for arbitrary bimolecular gas-phase reactions: Application to the CH3CHO+HO and CH3OOH+HO reactions
Gross, A., Mikkelsen, Kurt Valentin & Stockwell, W. R., 2001, In: International Journal of Quantum Chemistry. 84, p. 493-512Research output: Contribution to journal › Journal article › Research › peer-review
- Published
A phase-space method for arbitrary bimolecular gas-phase reactions: Theoretical description
Gross, A., Mikkelsen, Kurt Valentin & Stockwell, W. R., 2001, In: International Journal of Quantum Chemistry. 84, p. 479-492Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Semi-emprical studies of cobalamins, corrin models, and cobaloximes. The nucleotide loop does not strain the corrin ring in cobalamins
Jensen, K. P. & Mikkelsen, Kurt Valentin, 2001, In: Inorganica Chimica Acta. 323, p. 5-15Research output: Contribution to journal › Journal article › Research › peer-review
- Published
An atomic capacitance-polarizability model for the calculation of molecular dipole mements and polarizabilities
Jensen, L., Aastrand, P. O. & Mikkelsen, Kurt Valentin, 2001, In: International Journal of Quantum Chemistry. 84, p. 513-522Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Heterogeneous solvation: An ab initio approach
Jørgensen, S., Ratner, M. A. & Mikkelsen, Kurt Valentin, 2001, In: Journal of Chemical Physics. 115, p. 3792-3803Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Nonlinear optical response of molecule in inhomogeneous solvation environment: A response theory formalism
Jørgensen, S., Ratner, M. A. & Mikkelsen, Kurt Valentin, 2001, In: Journal of Chemical Physics. 115, p. 8185-8192Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Potential energy surfaces of image potential states
Jørgensen, S., Ratner, M. A. & Mikkelsen, Kurt Valentin, 2001, In: Journal of Chemical Physics. 114, p. 3790-3799Research output: Contribution to journal › Journal article › Research › peer-review
ID: 7494
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2179
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Direct probing of ion pair formation using a symmetric triangulenium dye
Research output: Contribution to journal › Journal article › Research › peer-review
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292
downloads
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
Research output: Contribution to journal › Journal article › Research › peer-review
Published -
265
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Single-molecule detection of dihydroazulene photo-thermal reaction using break junction technique
Research output: Contribution to journal › Journal article › Research › peer-review
Published