Photo of Irene Shim
  • 206, 229

    Denmark

1984 …2017

Research output per year

If you made any changes in Pure these will be visible here soon.

Research Output

1984

Electronic structure and bonding in the RhC molecule by all-electron ab initio HF–Cl calculations and mass spectrometric measurements

Shim, I. & Gingerich, K. A., 1984, In : Journal of Chemical Physics. 81, 12, p. 5937-5944

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
150 Downloads (Pure)
1986

Electronic states and nature of bonding of the molecule PdGe by all electron ab initio HF–CI calculations and mass spectrometric equilibrium experiments

Shim, I., Kingcade, J. E. . J. & Gingerich, K. A., 1986, In : Journal of Chemical Physics. 85, 11, p. 6629-6636

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
153 Downloads (Pure)
1988

Electronic states and nature of bonding of the molecule NiGe by all electron ab initio Hartree–Fock (HF) and configuration interaction (CI) calculations and mass spectrometric equilibrium experiments

Shim, I., Kingcade, J. E. & Gingerich, K. A., 1988, In : Journal of Chemical Physics. 89, 5, p. 3104-3112

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
169 Downloads (Pure)
1992

Electronic states and nature of bonding in the molecule YC by all electron ab initio multiconfiguration self-consistent-field calculations and mass spectrometric equilibrium experiments

Shim, I., Pelino, M. & Gingerich, K. A., 1992, In : Journal of Chemical Physics. 97, 12, p. 9240-9248

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
228 Downloads (Pure)
1997

Electronic states and nature of bonding in the molecule MoC by all electron ab initio calculations

Shim, I. & Gingerich, K. A., 1997, In : Journal of Chemical Physics. 106, 19, p. 8093-8100

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
462 Downloads (Pure)

Electronic States and Nature of Bonding in the Molecule RhN by all electron af initio calculations

Shim, I., Mandix, K. & Gingerich, K. A., 1997, In : Journal of Molecular Structure (Theochem). 393, p. 127-139

Research output: Contribution to journalJournal articleResearchpeer-review

1998

Electronic Structure and Thermodynamic Properties of the Molecule GeC from All-Electron ab initio Calculations and Knudsen Effusion Mass Spectrometric Measurements

Shim, I. & Baba, M. S., 1998, In : Journal of Physical Chemistry. 102, 52, p. 10763-10767

Research output: Contribution to journalJournal articleResearchpeer-review

1999

All electron ab initio investigations of the electronic states of the FeC molecule

Shim, I. & Gingerich, K. A., 1999, In : The European Physical Journal D. 7, p. 163-172

Research output: Contribution to journalJournal articleResearchpeer-review

All Electron ab initio Investigations of the Electronic States of the MoN Molecule

Shim, I. & Gingerich, K. A., 1999, In : Journal of molecular structure (Theochem). 460, p. 123-136

Research output: Contribution to journalJournal articleResearchpeer-review

All-electron ab initio investigations of the electronic states of the NiC molecule

Shim, I. & Gingerich, K. A., 1999, In : Chemical Physics Letters. 303, 1-2, p. 87-95

Research output: Contribution to journalJournal articleResearchpeer-review

2000

All Electron ab initio Investigations of the Three Lowest Lying Electronic States of the RuC Molecule

Shim, I. & Gingerich, K. A., 2000, In : Chemical Physics Letters. 317, 3-5, p. 338-345

Research output: Contribution to journalJournal articleResearchpeer-review

2001

Ab initio investigations of the nitrosyl containing ions CrNO2+, (Cr(H2O)5NO)2+, FeNO2+, and (Fe(H2O)5NO)2+

Shim, I. & Gingerich, K. A., 2001.

Research output: Contribution to conferencePosterResearch

All-electron ab initio investigation of the electronic states of the PdC molecule

Shim, I. & Gingerich, K. A., 2001, In : ChemPhysChem. 2, 2, p. 125-130

Research output: Contribution to journalJournal articleResearchpeer-review

2002

Electronic structure of Ge-2 and Ge-2 and thermodynamic properties of Ge-2 from all electron ab initio investigations and Knudsen effusion mass spectroscopic measurements

Shim, I., Baba, M. S. & Gingerich, K. A., 2002, In : Chemical Physics. 277, 1, p. 9-20

Research output: Contribution to journalJournal articleResearchpeer-review

2003

Ab Initio Investigations of the C2F4S Isomers and of Their Interconversions

Shim, I., Vallano-Lorenzo, S., Lisbona-Martin, P. & Senning, A., 2003, In : Journal of Fluorine Chemistry. 124, 1, p. 99-104

Research output: Contribution to journalJournal articleResearchpeer-review

2004

Ab initio Investigations of the Equilibria between Trichlorothioacetyl Chloride, Tetrachlorothiirane, and Trichloroethenesulfenyl Chloride, their Reactants and Decomposition Products

Pedersen, K. V., Christensen, H., Shim, I. & Senning, A. E. E., 2004, In : Journal of Sulfur Chemistry. 25, 2-3, p. 111-123

Research output: Contribution to journalJournal articleResearchpeer-review

2005

Raman and ab initio studies of simple and binary 1-alkyl-3-methylimidazolium ionic liquids

Berg, R. W., Deetlefs, M., Seddon, K. R., Shim, I. & Thompson, J. M., 2005, In : Journal of physical chemistry b. 109, 40, p. 19018-19025

Research output: Contribution to journalJournal articleResearchpeer-review

2009

Structures of strontium diformate and strontium fumarate. A synchrotron powder diffraction study

Stahl, K., Andersen, J. E. T., Shim, I. & Christgau, S., 2009, In : Acta Crystallographica. Section B: Structural Science. 65, p. 481-487

Research output: Contribution to journalJournal articleResearchpeer-review

2010

An ab initio study of the mechanisms of the di- and tri-merization of thiocarbonyl compounds resulting in cyclic oligomers

Krantz, K. E., Senning, A. E. E. & Shim, I., 2010, In : Journal of Molecular Structure: THEOCHEM. 944, 1-3, p. 83-88

Research output: Contribution to journalJournal articleResearchpeer-review

2012

Raman Optical Activity and Raman Spectra of Amphetamine Species: Quantum Chemical Model Calculations and Experiments

Berg, R. W., Shim, I., White, P. C. & Abdali, S., 2012, In : American Journal of Analytical Chemistry. 3, p. 410-412

Research output: Contribution to journalJournal articleResearchpeer-review

2014

Quantum Mechanical Studies of DNA and LNA

Koch, T., Shim, I., Lindow, M., Orum, H. & Bohr, H. G., 2014, In : Nucleic Acid Therapeutics. 24, 2, p. 139-148 10 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
354 Downloads (Pure)
2017

Ab Initio Assessment of the Bonding in Disulfonates Containing Divalent Nitrogen and Phosphorus Atoms

Andersen, V. B., Berg, R. W. & Shim, I., 2017, In : ACS Omega. 2, 8, p. 4447-4455

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
171 Downloads (Pure)

Electronic Structures of LNA Phosphorothioate Oligonucleotides

Bohr, H. G., Shim, I., Stein, C., Ørum, H., Hansen, H. F. & Koch, T., 2017, In : Molecular Therapy-Nucleic Acids. 8, p. 428-441

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
219 Downloads (Pure)