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Results: 1-25 | 26-26
Results: 1-25/26
EXPERIMENTAL AND THEORETICAL INVESTIGATION OF THE GEOMETRY AND VIBRATIONAL FREQUENCIES OF 1,2,3-TRIAZOLE, 1,2,4-TRIAZOLE, AND TETRAZOLE ANIONS
Authors: ELAZHARY AA SUTER HU KUBELKA J
Citation: Aa. Elazhary et al., EXPERIMENTAL AND THEORETICAL INVESTIGATION OF THE GEOMETRY AND VIBRATIONAL FREQUENCIES OF 1,2,3-TRIAZOLE, 1,2,4-TRIAZOLE, AND TETRAZOLE ANIONS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(3), 1998, pp. 620-629
TEMPORARY ANIONS - CALCULATION OF ENERGY AND LIFETIME BY ABSORBING POTENTIALS - THE N-2(-)(2)PI(G) RESONANCE
Authors: SOMMERFELD T RISS UV MEYER HD CEDERBAUM LS ENGELS B SUTER HU
Citation: T. Sommerfeld et al., TEMPORARY ANIONS - CALCULATION OF ENERGY AND LIFETIME BY ABSORBING POTENTIALS - THE N-2(-)(2)PI(G) RESONANCE, Journal of physics. B, Atomic molecular and optical physics (Print), 31(18), 1998, pp. 4107-4122
FIRST-PRINCIPLES CALCULATION OF ELECTRIC-FIELD GRADIENTS AT THE CU SITES IN YBA2CU3O7
Authors: HUSSER P STOLL E SUTER HU MEIER PF
Citation: P. Husser et al., FIRST-PRINCIPLES CALCULATION OF ELECTRIC-FIELD GRADIENTS AT THE CU SITES IN YBA2CU3O7, Physica. C, Superconductivity, 294(3-4), 1998, pp. 217-224
PHOTODISSOCIATION DYNAMICS OF HNF - I - AB-INITIO CALCULATION OF GLOBAL POTENTIAL-ENERGY SURFACES, VIBRATIONAL ENERGIES, AND WAVE-FUNCTIONS
Authors: FANG WH PEYERIMHOFF S BECK C FLOTHMANN H SCHINKE R SUTER HU HUBER JR
Citation: Wh. Fang et al., PHOTODISSOCIATION DYNAMICS OF HNF - I - AB-INITIO CALCULATION OF GLOBAL POTENTIAL-ENERGY SURFACES, VIBRATIONAL ENERGIES, AND WAVE-FUNCTIONS, The Journal of chemical physics, 109(17), 1998, pp. 7137-7146
QUANTUM-CHEMICAL INVESTIGATION OF STRUCTURES, ROTATIONAL BARRIERS, AND VIBRATIONAL-SPECTRA OF THE ROTAMERS OF ETHYL NITRITE (CH3CH2ONO)
Authors: SUTER HU NONELLA M
Citation: Hu. Suter et M. Nonella, QUANTUM-CHEMICAL INVESTIGATION OF STRUCTURES, ROTATIONAL BARRIERS, AND VIBRATIONAL-SPECTRA OF THE ROTAMERS OF ETHYL NITRITE (CH3CH2ONO), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(30), 1997, pp. 5580-5586
A THEORETICAL-STUDY OF THE LOCAL ELECTRONIC-STRUCTURE OF 2 ADJACENT CU-O-PLANES IN YBA2CU3O7
Authors: SUTER HU STOLL EP HUSSER P SCHAFROTH S MEIER PF
Citation: Hu. Suter et al., A THEORETICAL-STUDY OF THE LOCAL ELECTRONIC-STRUCTURE OF 2 ADJACENT CU-O-PLANES IN YBA2CU3O7, Physica. C, Superconductivity, 282, 1997, pp. 1639-1640
COMPARATIVE CALCULATIONS ON THE HYPERFINE PARAMETERS OF BOND-CENTEREDIMPURITIES IN SILICON USING HIGH-LEVEL AB-INITIO TECHNIQUES
Authors: PASCHEDAG N SUTER HU MEIER PF
Citation: N. Paschedag et al., COMPARATIVE CALCULATIONS ON THE HYPERFINE PARAMETERS OF BOND-CENTEREDIMPURITIES IN SILICON USING HIGH-LEVEL AB-INITIO TECHNIQUES, Hyperfine interactions, 105(1-4), 1997, pp. 351-355
FIRST-PRINCIPLES CALCULATION OF ELECTRIC-FIELD GRADIENTS AT THE CU SITES IN YB2CU3O7
Authors: HUSSER P SCHAFROTH S STOLL E SUTER HU MEIER PF
Citation: P. Husser et al., FIRST-PRINCIPLES CALCULATION OF ELECTRIC-FIELD GRADIENTS AT THE CU SITES IN YB2CU3O7, Helvetica Physica Acta, 70, 1997, pp. 25-26
AN AB-INITIO STUDY OF THE MOLECULAR ELECTRIC-FIELD GRADIENTS OF THE CHLORSILANES
Authors: SUTER HU MARIC DM MEIER PF
Citation: Hu. Suter et al., AN AB-INITIO STUDY OF THE MOLECULAR ELECTRIC-FIELD GRADIENTS OF THE CHLORSILANES, Zeitschrift fur Naturforschung. A, A journal of physical sciences, 51(1-2), 1996, pp. 41-45
COMPARISON BETWEEN OPTIMIZED GEOMETRIES AND VIBRATIONAL FREQUENCIES CALCULATED BY THE DFT METHODS
Authors: ELAZHARY AA SUTER HU
Citation: Aa. Elazhary et Hu. Suter, COMPARISON BETWEEN OPTIMIZED GEOMETRIES AND VIBRATIONAL FREQUENCIES CALCULATED BY THE DFT METHODS, Journal of physical chemistry, 100(37), 1996, pp. 15056-15063
AB-INITIO INVESTIGATION OF VIBRATIONAL EFFECTS ON MAGNETIC HYPERFINE COUPLING-CONSTANTS IN THE X(3)SIGMA(G)(-) STATE OF B2H2
Authors: ENGELS B SUTER HU PERIC M
Citation: B. Engels et al., AB-INITIO INVESTIGATION OF VIBRATIONAL EFFECTS ON MAGNETIC HYPERFINE COUPLING-CONSTANTS IN THE X(3)SIGMA(G)(-) STATE OF B2H2, Journal of physical chemistry, 100(24), 1996, pp. 10121-10122
IS ACETYLENE RADICAL-ANION WITH A TRANS-BENT FORM OBSERVED IN MATRIX EXPERIMENT - AN AB-INITIO STUDY
Authors: HA TK SUTER HU NGUYEN MT
Citation: Tk. Ha et al., IS ACETYLENE RADICAL-ANION WITH A TRANS-BENT FORM OBSERVED IN MATRIX EXPERIMENT - AN AB-INITIO STUDY, The Journal of chemical physics, 105(15), 1996, pp. 6385-6387
AN AB-INITIO DETERMINATION OF THE MAGNETIC HYPERFINE-STRUCTURE OF C-2IN THE 4 LOWEST TRIPLET-STATES
Authors: SUTER HU ENGELS B
Citation: Hu. Suter et B. Engels, AN AB-INITIO DETERMINATION OF THE MAGNETIC HYPERFINE-STRUCTURE OF C-2IN THE 4 LOWEST TRIPLET-STATES, Chemical physics letters, 261(6), 1996, pp. 644-650
COMPUTATIONAL STUDIES OF HYDROGEN-RELATED COMPLEXES IN SEMICONDUCTORS
Authors: LUCHSINGER R MEIER PF PASCHEDAG N SUTER HU ZHOU Y
Citation: R. Luchsinger et al., COMPUTATIONAL STUDIES OF HYDROGEN-RELATED COMPLEXES IN SEMICONDUCTORS, Philosophical transactions-Royal Society of London. Physical sciences and engineering, 350(1693), 1995, pp. 203-213
THEORETICAL-STUDY OF THE ARSENIC-HYDROGEN COMPLEX IN SILICON
Authors: SUTER HU PASCHEDAG N MEIER PF
Citation: Hu. Suter et al., THEORETICAL-STUDY OF THE ARSENIC-HYDROGEN COMPLEX IN SILICON, Philosophical magazine. B. Physics of condensed matter. Structural, electronic, optical and magnetic properties, 72(2), 1995, pp. 193-199
AB-INITIO STUDY OF DIMETHYL PEROXIDE
Authors: HUANG MB SUTER HU
Citation: Mb. Huang et Hu. Suter, AB-INITIO STUDY OF DIMETHYL PEROXIDE, Journal of molecular structure. Theochem, 337(2), 1995, pp. 173-178
CORRELATED AB-INITIO FORCE-FIELDS AND VIBRATIONAL ANALYSIS OF THE SPECTRA OF ISOXAZOLE AND ISOTHIAZOLE
Authors: ELAZHARY AA SUTER HU
Citation: Aa. Elazhary et Hu. Suter, CORRELATED AB-INITIO FORCE-FIELDS AND VIBRATIONAL ANALYSIS OF THE SPECTRA OF ISOXAZOLE AND ISOTHIAZOLE, Journal of physical chemistry, 99(34), 1995, pp. 12751-12758
MULTIREFERENCE CONFIGURATION-INTERACTION AND DENSITY-FUNCTIONAL STUDYOF THE AZETIDINE RADICAL-CATION AND THE NEUTRAL AZETIDIN-1-YL RADICAL
Authors: HUANG MB SUTER HU ENGELS B PEYERIMHOFF SD LUNELL S
Citation: Mb. Huang et al., MULTIREFERENCE CONFIGURATION-INTERACTION AND DENSITY-FUNCTIONAL STUDYOF THE AZETIDINE RADICAL-CATION AND THE NEUTRAL AZETIDIN-1-YL RADICAL, Journal of physical chemistry, 99(24), 1995, pp. 9724-9729
QUANTUM-CHEMISTRY AND DRUG DESIGN
Authors: SUTER HU MARIC DM WEBER J THOMSON C
Citation: Hu. Suter et al., QUANTUM-CHEMISTRY AND DRUG DESIGN, Chimia, 49(5), 1995, pp. 125-127
THEORETICAL-STUDY OF THE DIMETHYLAMINO RADICAL (CH3)2N AND ITS PROTONATED CATION (CH3)2NH+
Authors: HUANG MB SUTER HU ENGELS B
Citation: Mb. Huang et al., THEORETICAL-STUDY OF THE DIMETHYLAMINO RADICAL (CH3)2N AND ITS PROTONATED CATION (CH3)2NH+, Chemical physics, 183(1), 1994, pp. 27-36
AN AB-INITIO CALCULATION OF THE VERTICAL EXCITATION-ENERGIES OF NAPHTHALENE
Authors: SUTER HU HA TK
Citation: Hu. Suter et Tk. Ha, AN AB-INITIO CALCULATION OF THE VERTICAL EXCITATION-ENERGIES OF NAPHTHALENE, Journal of molecular structure. Theochem, 115(1), 1994, pp. 13-19
A MULTIREFERENCE CONFIGURATION-INTERACTION STUDY OF THE HYPERFINE-STRUCTURE OF THE MOLECULES CCO, CNN, AND NCN IN THEIR TRIPLET GROUND-STATES
Authors: SUTER HU HUANG MB ENGELS B
Citation: Hu. Suter et al., A MULTIREFERENCE CONFIGURATION-INTERACTION STUDY OF THE HYPERFINE-STRUCTURE OF THE MOLECULES CCO, CNN, AND NCN IN THEIR TRIPLET GROUND-STATES, The Journal of chemical physics, 101(9), 1994, pp. 7686-7691
AB-INITIO STUDY OF THE ENERGY DIFFERENCE BETWEEN THE CYCLIC AND LINEAR-FORMS OF THE C-6 MOLECULE
Authors: PLESS V SUTER HU ENGELS B
Citation: V. Pless et al., AB-INITIO STUDY OF THE ENERGY DIFFERENCE BETWEEN THE CYCLIC AND LINEAR-FORMS OF THE C-6 MOLECULE, The Journal of chemical physics, 101(5), 1994, pp. 4042-4048
THEORETICAL-STUDY OF ELECTRON-SPIN-RESONANCE PARAMETERS - H2CN AND H2CO+
Authors: SUTER HU ENGELS B
Citation: Hu. Suter et B. Engels, THEORETICAL-STUDY OF ELECTRON-SPIN-RESONANCE PARAMETERS - H2CN AND H2CO+, The Journal of chemical physics, 100(4), 1994, pp. 2936-2942
DIFFICULTIES IN THE CALCULATION OF ELECTRON-SPIN-RESONANCE PARAMETERSUSING DENSITY-FUNCTIONAL METHODS
Authors: SUTER HU PLESS V ERNZERHOF M ENGELS B
Citation: Hu. Suter et al., DIFFICULTIES IN THE CALCULATION OF ELECTRON-SPIN-RESONANCE PARAMETERSUSING DENSITY-FUNCTIONAL METHODS, Chemical physics letters, 230(4-5), 1994, pp. 398-404
Risultati: 1-25 | 26-26