I. Shim

发表

Electronic states and nature of the chemical bond in the molecule CrC by all-electron Ab initio calculations

K. Gingerich, I. Shim, 1992 .

Electronic structure of Ge2 and Ge2− and thermodynamic properties of Ge2 from all electron ab initio investigations and Knudsen effusion mass spectroscopic measurements

K. Gingerich, I. Shim, M. S. Baba, 2002 .

Theoretical and experimental investigations of the gallium dimeric molecule

K. Gingerich, I. Shim, K. Mandix, 1991 .

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

I. Shim, A. Senning, Kristian Errebo Krantz, 2010 .

In vivo uptake of antisense oligonucleotide drugs predicted by ab initio quantum mechanical calculations

H. Bohr, H. Hansen, T. Koch, 2021, Scientific Reports.

Electronic Structures of LNA Phosphorothioate Oligonucleotides

H. Bohr, C. Stein, H. Ørum, 2017, Molecular therapy. Nucleic acids.

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

I. Shim, J. Andersen, K. Stahl, 2009, Acta crystallographica. Section B, Structural science.

The nickel-group IV molecules NiC, NiSi, and NiGe

K. Gingerich, I. Shim, 1989 .

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

K. Gingerich, I. Shim, H. C. Finkbeiner, 1987 .

Electronic states and nature of bonding in the molecule YN by all‐electron ab initio CASSCF calculations

K. Gingerich, I. Shim, 1993 .

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

K. Gingerich, I. Shim, 1999 .

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

Maggel Deetlefs, K. Seddon, R. W. Berg, 2005, The journal of physical chemistry. B.

Conformational triggering in voltammetry and single-molecule conductivity of two-centre redox metalloproteins: Cytochrome c4 and copper nitrite reductase

Xinxin Xiao, J. Ulstrup, I. Shim, 2022, Current Opinion in Electrochemistry.

The nature of bonding in PdC

K. Gingerich, I. Shim, 1982 .

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

K. Gingerich, I. Shim, 1999 .

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

M. Pelino, K. Gingerich, I. Shim, 1992 .

Chemical Bonds and Electronic States of Transition Metal Containing Diatomics

I. Shim, 1987 .

An all-electron Hartree—Fock investigation of the electronic structure and nature of bonding in the molecule YPd

K. Gingerich, I. Shim, 1983 .

A comparative study of the molecules Cu2 and Ag2 by all electron ab initio HF–CI methods

K. Gingerich, I. Shim, 1983 .

Interaction between two Co atoms. An all electron ab initio HF–CI investigation

K. Gingerich, I. Shim, 1983 .

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

R. W. Berg, I. Shim, V. B. Andersen, 2017, ACS omega.

4-Currents in relativistic quantum chemistry†

F. Antonsen, J. Avery, I. Shim, 1993 .

Electronic structure calculations for the molecules Si2 and Ge2 using all electron ab initio HF-CI methods

K. Gingerich, I. Shim, H. M. Nagarathna-Naik, 1986 .

The chromium‐group IV molecules CrC, CrSi, and CrGe: An all‐electron ab initio HF–CI study

K. Gingerich, I. Shim, 2009 .

Ab initio investigation of phloroglucinol

I. Shim, K. Mandix, A. Colding, 1993 .

Electronic states and nature of bonding of the molecule NiSi by all electron ab initio HF-CI and CASSCF calculations

K. Gingerich, I. Shim, 1990 .

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

K. Gingerich, I. Shim, J. E. Kingcade, 1988 .

The Nickel Dimer and Trimer

K. Gingerich, I. Shim, 1987 .

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

K. Gingerich, I. Shim, J. E. Kingcade, 1986 .

Electronic structure and bonding in the monocarbides in the first platinum metal triad

K. Gingerich, I. Shim, 1985 .

Electronic states of NiFe. Anab initio HF-CI study

I. Shim, 1980 .

Ab initio Hartree–Fock and configuration‐interaction treatment of the interaction between two nickel atoms

J. P. Dahl, I. Shim, H. Johansen, 1979 .

Ab initio investigations of the C2F4S isomers and of their interconversions

I. Shim, A. Senning, Sandra Vallano-Lorenzo, 2003 .

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

K. Gingerich, I. Shim, 2001, Chemphyschem : a European journal of chemical physics and physical chemistry.

Bonding in the diruthenium molecule by ab initio calculations

F. Cotton, I. Shim, 1982 .

Comparative studies of Mo-Mo and W-W quadruple bonds by SCF-X. cap alpha. -SW calculations and photoelectron spectroscopy

F. Cotton, D. Lichtenberger, I. Shim, 1982 .

Thermodynamic properties of nickel-germanium clusters and ab-initio investigations of nickel and palladium group IV diatomics

K. Gingerich, I. Shim, J. E. Kingcade, 1988 .

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

K. Gingerich, I. Shim, 1984 .

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

P. White, S. Abdali, R. W. Berg, 2012 .

Why Is 1,6,6a.lambda.4-Trithiapentalene Colored?

J. Spanget-Larsen, I. Shim, Chen Er-ting, 1994 .

Quantum mechanical studies of DNA and LNA.

H. Bohr, M. Lindow, H. Ørum, 2014, Nucleic acid therapeutics.

Bond energies of small metal clusters

K. Gingerich, I. Shim, J. E. Kingcade, 1985 .

Exchange interaction between two nickel atoms

I. Shim, 1980 .

Electronic structure and bonding of the dimeric germanium molecule from all-electron ab initio calculations and equilibrium measurements

K. Gingerich, I. Shim, J. E. Kingcade, 1986 .

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

K. Gingerich, I. Shim, K. Mandix, 1997 .

A new interpretation of Hund's first rule

J. P. Dahl, I. Shim, 1978 .

Ab initio HF–CI calculations of the electronic ‘‘band structure’’ in the Fe2 molecule

K. Gingerich, I. Shim, 1982 .

Multiple bonds between vanadium atoms

F. Cotton, I. Shim, M. Diebold, 1985 .

Chemical bonding and electronic structure in the ionic species CrNO2 and [Cr(H2O)5NO]2+ by all electron ab initio multi configurations self consistent field calculations☆

K. Gingerich, I. Shim, Xue-jun Feng, 1995 .

Chemical Bonding and Electronic Structure in the Ionic Species CrNO2+ and (Cr(H2O)5NO)2+ by All Electron ab initio Multi Configuration Self Consistent Field Calculations.

K. Gingerich, I. Shim, K. Mandix, 1995 .