Search Results - "SUTER, H. U"

Dissociation and Recombination in the Photochemical Decay of Carbonyl Cyanide CO(CN)2 in Cryogenic Matrixes by Suter, H. U, Pfister, R, Furlan, A, Huber, J. Robert

“…The photochemistry of CO(CN)2 in cryogenic matrixes has been investigated employing pulsed laser excitation at 193 nm. During irradiation, the parent molecule,…”
Get full text

Predissociation via Conformational Change: Photodissociation of N,N-Dimethylnitrosamine in the S1 State by Nonella, M, Suter, H. U, Huber, J. Robert

“…We investigated the photodissociation mechanism of N,N-dimethylnitrosamine (CH3)2NNO (DMN) by ab intio quantum chemical methods. Inspired by an earlier study…”
Get full text

On the Dissociation of N2O after Electron Attachment by Suter, H. U, Greber, T

“…Total energy calculations were performed for nitrous oxide and its anion N2O- by Multi Configuration Self-Consistent Field−Configuration Interaction (MCSCF−CI)…”
Get full text

Experimental and Theoretical Investigation of the Geometry and Vibrational Frequencies of 1,2,3-Triazole, 1,2,4-Triazole, and Tetrazole Anions by El-Azhary, A. A, Suter, H. U, Kubelka, J

“…Optimized geometries, vibrational frequencies, scale factors, and IR absorption intensities were calculated for the 1,2,3-triazole anion (1) at the B3LYP, LDA,…”
Get full text

Muon sites and hyperfine fields in La2CuO4 by SUTER, H. U, STOLL, E. P, MEIER, P. F

Get full text

Quantum Chemical Investigation of Structures, Rotational Barriers, and Vibrational Spectra of the Rotamers of Ethyl Nitrite (CH3CH2ONO) by Suter, H. U, Nonella, M

“…Ab initio and density functional (DFT) methods were used to investigate the rotamers of ethyl nitrite. The potential energy surface for rotations around the…”
Get full text

First-principles calculation of electric field gradients at the Cu sites in YBa2Cu3O7 by HÜSSER, P, STOLL, E, SUTER, H. U, MEIER, P. F

Get full text

Configuration interaction calculation of hyperfine properties for bond-centered muonium in diamond by PASCHEDAG, N, SUTER, H. U, MARIC, D. M, MEIER, P. F

“…The electronic structure of hydrogen and muonium at the bond-centered site in diamond is investigated using [ital ab] [ital initio] cluster calculations. Based…”
Get full text

Computational Studies of Hydrogen-Related Complexes in Semiconductors [and Discussion] by Luchsinger, R., Meier, P. F., Paschedag, N., Suter, H. U., Zhou, Yu, Claxton, T. A., Jackson, W., Fisher, A. J.

“…The two main computational techniques to calculate the microscopic electronic structure of localized defects in solids are reviewed. Cluster calculations using…”
Get full text

An ab initio and dynamics study of the photodissociation of nitric acid HNO3 by Nonella, M., Suter, H.U., Huber, J. Robert

Get full text

Predissociation via Conformational Change: Photodissociation of N , N -Dimethylnitrosamine in the S 1 State by Nonella, M., Suter, H. U., Huber, J. Robert

Get full text

On the Dissociation of N 2 O after Electron Attachment by Suter, H. U., Greber, T.

Get full text

A theoretical study of the local electronic structure of two adjacent CuOplanes in YBa2Cu3O7 by Suter, H.U., Stoll, E.P., Hüsser, P., Schafroth, S., Meier, P.F.

Get full text

Synthesis of One Monolayer of Hexagonal Boron Nitride on Ni(111) from B-Trichloroborazine (ClBNH)3 by Auwärter, Willi, Suter, Hans Ulrich, Sachdev, Hermann, Greber, Thomas

“…Single-layer h-BN films may be grown on Ni(111) by using B-trichloroborazine (ClBNH)3. Scanning tunneling microscopy shows perfect monolayers with a very low…”
Get full text

Predissociation via conformational change: photodissociation of N,N-dimethylnitrosamine in the S(1) state by Nonella, M, Suter, H U, Huber, J Robert

“…We investigated the photodissociation mechanism of N,N-dimethylnitrosamine (CH(3))(2)NNO (DMN) by ab intio quantum chemical methods. Inspired by an earlier…”
Get full text

Multireference Configuration Interaction and Density Functional Study of the Azetidine Radical Cation and the Neutral Azetidin-1-yl Radical by Huang, M. B., Suter, H. U., Engels, B., Peyerimhoff, S. D., Lunell, S.

“…The geometry and the hyperfine structure of the four-membered rings azetidin-1-yl radical (C3H6N) and azetidine radical cation (C3H6NH+) have been studied. The…”
Get full text

An ab initio determination of the magnetic hyperfine structure of C2 in the four lowest triplet states by Suter, H.U., Engels, B.

Get full text

Dissociation and Recombination in the Photochemical Decay of Carbonyl Cyanide CO(CN) sub(2) in Cryogenic Matrixes by Suter, HU, Pfister, R, Furlan, A, Huber, JRobert

“…The photochemistry of CO(CN) sub(2) in cryogenic matrixes has been investigated employing pulsed laser excitation at 193 nm. During irradiation, the parent…”
Get full text

Photodissociation of carbonyl cyanide CO(CN) 2. An ab initio calculation study by Suter, H.U, Huber, J.R, Ha, T.-K

“…The energy, geometry and vibrational frequencies of the parent molecule, products and transition state species (TS) involved in the photochemical decay of…”
Get full text

Ab initio study of dimethyl peroxide by Huang, M.-B., Suter, H.U.

“…Dimethyl peroxide, as a prototype for peroxides, has been studied by using ab initio calculations. At the MP2/6–31G ∗ level the COOC conformation was…”
Get full text