Search Results - "Gundersen, Snefrid"

Benzene; high level quantum chemical calculations, gas electron diffraction pattern recorded on Fuji imaging plates and a method to explore systematic discrepancies which was used to determine an improved sector correction by Gundersen, Snefrid, Samdal, Svein, Strand, Tor G., Volden, Hans V.

“…The C C bond distance in molecular benzene is used by several electron diffraction groups to calibrate the electron wavelength in a gas electron diffraction…”
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Molecular Structure of Trichloroethenylgermane, CH2CH−GeCl3, as Studied by Gas-Phase Electron Diffraction. Experimental Determination of the Barrier of Internal Rotation of the Trichlorogermyl Group Supplemented with Quantum Chemical Calculations on CH2CH−MX3 (M = C, Si, Ge, Sn, and X = H, Cl) by Samdal, Svein, Guillemin, Jean-Claude, Gundersen, Snefrid

“…The molecular structure of trichloroethenylgermane, CH2CH−GeCl3, has been determined by electron diffraction and supported by quantum chemical calculations on…”
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Molecular Structure of Trichloroethenylgermane, CH 2 ═CH−GeCl 3 , as Studied by Gas-Phase Electron Diffraction. Experimental Determination of the Barrier of Internal Rotation of the Trichlorogermyl Group Supplemented with Quantum Chemical Calculations on CH 2 ═CH−MX 3 (M = C, Si, Ge, Sn, and X = H, Cl) by Samdal, Svein, Guillemin, Jean-Claude, Gundersen, Snefrid

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Molecular structures, conformations, force fields and large amplitude motion of cis-3-chloro-2-propen-1-ol as studied by quantum chemical calculations and gas electron diffraction augmented with quantum chemical calculations on 2-propen-1-ol by Strand, Tor G., Gundersen, Snefrid, Priebe, Hanno, Samdal, Svein, Seip, Ragnhild

“…B3LYP and MP2(F) quantum chemical calculations have been performed for 2-propen-1-ol using the cc-pVTZ basis set. Five stable conformations are detected and…”
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The molecular structure, conformation, force field and potential function to internal rotation of 2,2-dichloroacetamide as studied by quantum chemical calculations and gas electron diffraction data from photographic plates using a commercial scanner by Gundersen, Snefrid, Samdal, Svein, Seip, Ragnhild, Strand, Tor G

“…A description of how we presently use a commercial scanner to obtain electron diffraction data from photographic plates is given. Compared to data previously…”
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Electron diffraction study of meta- and para-fluoronitrobenzene using results from quantum chemical calculations. Trends in the carbon–halogen bond length found in ortho-, meta- and para-halonitrobenzenes (Halo=F, Cl, Br, I) by Shishkov, Igor F., Khristenko, Lyudmila V., Samdal, Svein, Gundersen, Snefrid, Volden, Hans V., Vilkov, Lev V.

“…The molecular geometry of meta- and para-fluoronitrobenzene has been determined by gas electron diffraction and quantum chemical calculations using HF, MP2 and…”
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The molecular structure of benzene derivatives, part 2: 4-chloro-benzaldehyde by joint analysis of gas electron diffraction, microwave spectroscopy and ab initio molecular orbital calculations by Møllendal, Harald, Gundersen, Snefrid, Tafipolsky, Maxim A., Volden, Hans Vidar

“…The molecular structure of gaseous 4-chlorobenzaldehyde has been determined by a joint analysis of gas electron diffraction data, rotational constants from…”
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The molecular structure, conformation, potential to internal rotation and force field of 2,2-difluoroacetamide as studied by gas electron diffraction and quantum-chemical calculations by Gundersen, Snefrid, Samdal, Svein, Seip, Ragnhild, Shorokhov, Dmitry J.

“…2,2-Difluoroacetamide (DFA) has been studied by electron diffraction (ED), ab initio Hartree–Fock (HF), Møller–Plesset (MP2) and density functional theory…”
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Gas electron diffraction data: A representation of improved resolution in the frequency domain, a background correction for multiplicative and additive errors, and the effect of increased exposure of the photographic plates by Gundersen, Snefrid, Strand, Tor G., Volden, Hans V.

“…An improved version of the previously proposed modified autocorrelation power spectrum is described. The enhanced resolution of this spectrum in the frequency…”
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The molecular structure, conformation, potential to internal rotation and force field of 2,2,2-trifluoroacetamide as studied by gas electron diffraction and quantum chemical calculations by Gundersen, Snefrid, Samdal, Svein, Seip, Ragnhild, Shorokhov, Dmitry J., Strand, Tor G.

“…2,2,2-Trifluoroacetamide (TFA) has been studied by electron diffraction (ED), ab initio Hartree-Fock (HF), density functional theory (DFT), and MP2…”
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Molecular structure of 1-aza-closo-dodecaborane(12). Experimental and theoretical refinement by Hnyk, Drahomir, Buehl, Michael, Schleyer, Paul v. R, Volden, Hans V, Gundersen, Snefrid, Mueller, Jens, Paetzold, Peter

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Apparent wavelengths of the Oslo electron diffraction apparatus according to diffraction patterns from gaseous benzene by Gundersen, Snefrid, Strand, Tor G., Volden, Hans Vidar

“…The electron wavelength of the short camera distance electron diffraction diagrams of benzene was calibrated against the CC distance of the molecule. This…”
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A reinvestigation of the molecular structure of dimethyl- N -nitramine by gas electron diffraction, ab initio calculations of the molecular geometry and the force field and vibrational spectra by Shishkov, Igor F., Khristenko, Lyudmila V., Sipachev, Victor A., Vilkov, Lev V., Samdal, Svein, Gundersen, Snefrid, Palafox, Mauricio A.

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