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  1. Article

    Open Access

    Epigenetic inactivation of the NORE1gene correlates with malignant progression of colorectal tumors

    NORE1 (RASSF5) is a newly described member of the RASSF family with Ras effector function. NORE1 expression is frequently inactivated by aberrant promoter hypermethylation in many human cancers, suggesting that N...

    Chang Kyun Lee, **-Hee Lee, Min-Goo Lee, Seong-In Jeong, Tae-Kyu Ha… in BMC Cancer (2010)

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  2. No Access

    Article

    Theoretical study of anion carriers based on trifluoroacetophenone

    Model calculations on anion carrier ligands related to trifluoroacetophenone were carried out using the semiempirical AM 1 method in order to investigate the factors involved in such anion-ligand complexation....

    Janice M. Inglis, Tae-Kyu Ha in Structural Chemistry (1997)

  3. No Access

    Chapter

    Ab Initio Calculation of Molecular Energies Including Parity Violating Interactions

    A new approach, RHF-CIS, based on the perturbation of the ground state RHF wave function by the CIS excitations, has been implemented for evaluations of the parity violating interaction energy in molecules, E ...

    Ayaz Bakasov, Tae-Kyu Ha, Martin Quack in Chemical Evolution: Physics of the Origin … (1996)

  4. No Access

    Article

    An ab initio CI study of the ground and excited states of p-quinodimethane

    Configuration interaction (CI) studies of the ground, electronically excited singlet and triplet states and of the ionized states (cations) are reported for p- quinodimethane (p-xylylene). The calculated ionizati...

    Tae -Kyu Ha in Theoretica chimica acta (1984)

  5. No Access

    Article

    Ab initio CI study of the nitric oxide dimer (N2O2)

    Configuration interaction (CI) studies of the ground and electronically excited states are reported for nitric oxide dimer (N2O2) in itscis equilibrium geometry. The lowest triplet state (3 B 2) is found to lie o...

    Tae-Kyu Ha in Theoretica chimica acta (1981)

  6. No Access

    Article

    A theoretical study of the electronic structure of disiloxane [(SiH3)2O] and its relation to silicates

    Ab initio selfconsistent field calculations have been carried out for disiloxane, (SiH3)2O, and the equilibrium structure determined. The Slater-type orbital STO-3G* basis set including d-functions on Si gave the...

    Rahel Meier, Tae-Kyu Ha in Physics and Chemistry of Minerals (1980)

  7. No Access

    Article

    Ab initio SCF and CI study of the electronic spectrum of pyridine N-oxide

    Configuration interaction (CI) studies of ground, n → π*, π * π* electronically excited states are reported for pyridine N-oxide. The transition energy to the lowest π → π* excited 1 B 2 state is calculated at 4....

    Tae -Kyu Ha in Theoretica chimica acta (1977)

  8. No Access

    Article

    Conformation of ethylene glycol: Isometric group,ab initio study of internal H bonding and ir-matrix spectra of the species CH2OHCH2OH, CD2OHCD2OH and CH2ODCH2OD

    The isometric group of a semirigid model of the ethylene glycol molecule with 3 internal degrees of freedom is derived. Results of extensiveab initio computation of the electronic potential function with a Gaussi...

    Tae-Kyu Ha, H. Frei, R. Meyer, Hs. H. Günthard in Theoretica chimica acta (1974)

  9. No Access

    Article

    Conformation of ethylene glycol: Isometric group,ab initio study of internal H bonding and ir-matrix spectra of the species CH2OHCH2OH, CD2OHCD2OH and CH2ODCH2OD

    The isometric group of a semirigid model of the ethylene glycol molecule with 3 internal degrees of freedom is derived. Results of extensiveab initio computation of the electronic potential function with a Gaussi...

    Tae-Kyu Ha, H. Frei, R. Meyer, Hs. H. Günthard in Theoretica chimica acta (1974)

  10. No Access

    Article

    Berechnung der Röntgen- und Auger-Linien des Methans mit Hilfe des Pseudo-Neon-Modells

    Mit Hilfe des Pseudoneonmodells wurden die Energien der aus den folgenden Konfigurationen hervorgehenden Terme bzw. Mittelwerte dieser Energien für das Methanmolekül bestimmt: [(1s)2 (2s)2 (2p)6], [(1s)1 (2s)2 (2

    Hermann Hartmann, Tae-Kyu Ha in Theoretica chimica acta (1964)