Koller, Jože
Jože Koller ♂
VIAF ID: 305466237 ( Personal )
Permalink: http://viaf.org/viaf/305466237
Preferred Forms
- 100 0 _ ‡a Jože Koller ‡c ♂
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- 100 1 _ ‡a Koller, Jože
4xx's: Alternate Name Forms (1)
Works
Title | Sources |
---|---|
Ažman, Andrej | |
A CNDO and INDO calculation of nuclear spin-spin coupling constants in HF, HF[sub]2[sup]- and H[sub]2F[sub]3[sup]- | |
A comparative study of electrostatic similarity indices | |
Electronic correlation in molecular systems : an effective interaction approach | |
ELEKTRONSKA STRUKTURA IN LASTNOSTI SNOVI. | |
Localized orbitals in hydrogen-bonded systems | |
Molecular orbital treatment of HF and HF[sub]2[sup]- by CNDO/2 and INDO | |
The nature of hydrogen bonding in hydrotrioxides of methyl [alpha]-methylbenzyl ether and [alpha]-methylbenyl alcohol. Are hydrotrioxides self-associated in solutions? | |
Need for electronic correlation calculations in polymers | |
Nobelova nagrajenca za kemijo 1998 | |
Non-empirical calculation of quadrupole coupling constants in the hydrogen bonded system D(OH[sub]2)[sub]2[sup]+ | |
Non empirical calculation of the copolymerization of ethylene with acrylonitrile | |
Non empirical calculations of hydrogen fluoride (HF) cluster and chain dipole moments | |
Nuclear distortion of the equidistant arrangement in trans-polyacetylene, (CH)[sub]x | |
Numerical calculation of localized (Wannier) functions from ab-initio Hartree-Fock wave functions | |
On Hartree-Fock orbital and total energies in extended systems | |
On quantum chemical calculation of hopping integrals in organic solids : [presented at Proceedings Quasi One-Dimensional Conductors I, Dubrovnik, Croatia, 1979] | |
On the electronic structure of polydiacetylenes as studied by the ab initio crystal orbital method | |
On the fundamental difference in the therodynamics of agonist and antagonist interactions with [beta]-adrenergic receptors and the mechanism of entropy-driven binding | |
On the mechanism of the ozonation of isopropyl alcohol: an experimental and density functional theoretical investigation. [sup] 17O NMR spectra of hydrogen trioxide (HOOOH) and the hydrotrioxide of isopropyl alcohol | |
On the use of Wannier functions in the CI calculation of the extended system | |
OPTIMIZACIJA GEOMETRIJE PRI NEEMPIRICNIH RACUNIH Z MOLEKULARNIMI ORBITAMI. | |
Optimization of empirical force field parameters for netropsin : [lecture] | |
Peculiar structure of the HOOO[sup]- anion | |
Predstavitev knjige ʺExploring aspects of computational chemistry, concepts and exercisesʺ (J.-M. Andre, D. H. Mosley, M.-C. Andre, B. Champagne, E. Clementi, J.G. Fripiat, L. Leherte, L. Pisani, D. P. Vercauteren, M.Vračko), Presses universitaires de Namur, Namur 1997 | |
Prehod med kvantnimi stanji - trenutni dogodek? | |
Proton barrier in formic acid | |
Protonation and cis-trans isomerization energies of the retinal Schiff base bonded to formic acid : an MNDO/H and Am 1 calculation | |
Quantum chemical studies on (SN)[sub]x : [presented at Conference on Organic Conductors and Semiconductors, Siófok, Hungary 1976] | |
Računalniške simulacije proste energije pri obravnavi stabilnosti in reaktivnosti DNA : doktorska disertacija | |
Računanje absorpcijskega traku asimetričnega vzdolžnega valenčnega nihanja O-H v N-oksidu 4-metoksipikolinske kisline : diplomsko delo | |
Različna polimerna veziva za potrebe keramičnih materialov : magistrsko delo | |
Razvoj empiričnega potenciala za molekulo netropsina : diplomsko delo : delo je pripravljeno v skladu s Pravilnikom o podeljevanju Prešernovih nagrad študentom | |
Razvoj in optimizacija metod za hiter izračun molekulske podobnosti : doktorsko delo | |
The role of hydrogen bonding in drug-receptor interactions | |
Separated pair theory via Girardeau's Hamiltonian | |
Similarity of radial distribution function's intervals | |
Simulation of phosphatidylcholine hydration by tetramethylammonium dibutylphosphate - a FTIR spectroscopic and semiempirical MO study | |
Sodobne metode razvoja in uporabe biološko aktivnih snovi | |
Solution of the molecular Bethe-Goldstone equation | |
Some ab initio calculation on indole, isoindole, benzofuran, and isobenzofuran | |
Spectroscopic studies of lecithin hydration supported by MO calculations on model molecules | |
Stabilization of metastable hydrogen trioxide (HOOOH) and the hydrotrioxyl radical (HOOO[sup].) by complexation with sulfuric acid. A theoretical study | |
Sterični efekti pri aktiviranih bimolekularnih reakcijah : doktorska disertacija | |
The structure and stability of protonated dihydrogen trioxide (HOOOH) | |
Structure of infinite polyenes : ab initio quantum chemical study | |
Structure of styrene and acrylate block copolymers | |
Structures in solid state and solution of dimethoxy curcuminoids : regioselective bromination and chlorination | |
Structures of polymorphic forms of trans-(PyH)[MoCl[sub]4(Py)[sub]2] : conformational isomerism of the trans-[MoCl[sub]4(Py)[sub]2][sup]- ion | |
Struktura atomov in molekul. | |
Strukturna kemija | |
Študij elementarnih reakcij dušikovih oksidov v atmosferskih procesih : doktorska disertacija | |
Študij mehanizmov oksidacije s peroksidi in ozonom | |
Študij strukture in interakcij z jedrsko magnetno resonanco visoke ločljivosti. | |
Substituted propenoates - a report of two new crystal structures and a discussion about configuration about C(2)=C(3) double bond | |
Svetloba, barve in molekule | |
Svetlobni mlin in radiometrski efekt | |
Syntheses of some binaphthalenes | |
Synthesis and transformations of some pyrido[2,3-d]pyrimidines | |
Teoretični študij kemisorpcije in reakcij na površinah kovin prehoda : doktorska disertacija | |
Teoretični študij vodikovo vezanih sistemov s semiempiričnimi MO metodami | |
Tetracoordinated boron complexes derived from various 1,3-diketones | |
Tetramethylammonium as proton donor in hydrogen bonding infrared study : an ab initio and infrared study | |
Theoretical calcultations on systems modeling proton translocations in (bacterio)rhodopsin | |
A theoretical examination of the isomerization of BrONO[sub]2 to BrOONO | |
Theoretical interpretation of kinetic isotope effects for the reaction of CO[sub]2 on a Mg surface | |
A theoretical study of chemisorption and reactions on transition metal surfaces | |
A theoretical study of netropsin complexes with B-DNA : a DFT QM/MM approach : [poster] | |
Thermodynamic stability of drug-DNA complexes from molecular dynamics simulations | |
Uporaba formalizma vmesnih ekscitonov na molekulski verigi H[spodaj]2 | |
Uporaba Gaussove aproksimacije pri izračunu indeksov podobnosti na osnovi elektronskega potenciala : magistrsko delo | |
Uporaba polarnih tenzorjev pri analizi porazdelitve nabojev v molekuli : diplomsko delo | |
Uporaba semiempirične metode SINDO1 in primerjava z nekaterimi MO izračuni : diplomsko delo | |
Uporaba teorije molekulskih orbital v šoli s pomočjo računlnika | |
Vezava vodikovega trioksida na obroč kronskega etra : diplomsko delo [in študentska Prešernova nagrada] | |
Vodikova vez v sistemu NH[spodaj]3-HOF s semiempiričnima SCF metodama : diplomsko delo | |
Vpliv temperature in nestehiometrične sestave na vibracijske spektre Bi[spodaj](12)SiO[spodaj](20) : magistrsko delo |