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Results: 1-25 | 26-50 | 51-75 | 76-97
Results: 26-50/97
THE EQUILIBRIUM STRUCTURE OF SILENE H2C=SIH2 FROM MILLIMETER-WAVE SPECTRA AND FROM AB-INITIO CALCULATIONS
Authors: BAILLEUX S BOGEY M DEMAISON J BURGER H SENZLOBER M BREIDUNG J THIEL W FAJGAR R POLA J
Citation: S. Bailleux et al., THE EQUILIBRIUM STRUCTURE OF SILENE H2C=SIH2 FROM MILLIMETER-WAVE SPECTRA AND FROM AB-INITIO CALCULATIONS, The Journal of chemical physics, 106(24), 1997, pp. 10016-10026
A NONLOCAL CORRELATION-ENERGY DENSITY-FUNCTIONAL FROM A COULOMB HOLE MODEL
Authors: FILATOV M THIEL W
Citation: M. Filatov et W. Thiel, A NONLOCAL CORRELATION-ENERGY DENSITY-FUNCTIONAL FROM A COULOMB HOLE MODEL, International journal of quantum chemistry, 62(6), 1997, pp. 603-616
A DENSITY-FUNCTIONAL STUDY OF THE ROTATIONAL BARRIER OF TRICARBONYL(ETA(4)-NORBORNADIENE)IRON - EFFECT OF THE TORSIONAL ANGLE ON THE CARBONYL STRETCHING SPECTRA
Authors: BUHL M THIEL W
Citation: M. Buhl et W. Thiel, A DENSITY-FUNCTIONAL STUDY OF THE ROTATIONAL BARRIER OF TRICARBONYL(ETA(4)-NORBORNADIENE)IRON - EFFECT OF THE TORSIONAL ANGLE ON THE CARBONYL STRETCHING SPECTRA, Inorganic chemistry, 36(13), 1997, pp. 2922
BIS-ADDUCTS THROUGH TETRAKIS-ADDUCTS OF C-60 BY REVERSIBLE TETHER-DIRECTED REMOTE FUNCTIONALIZATION AND SYSTEMATIC INVESTIGATION OF THE CHANGES IN FULLERENE PROPERTIES AS A FUNCTION OF DEGREE, PATTERN, AND NATURE OF FUNCTIONALIZATION
Authors: CARDULLO F SEILER P ISAACS L NIERENGARTEN JF HALDIMANN RF DIEDERICH F MORDASINIDENTI T THIEL W BOUDON C GISSELBRECHT JP GROSS M
Citation: F. Cardullo et al., BIS-ADDUCTS THROUGH TETRAKIS-ADDUCTS OF C-60 BY REVERSIBLE TETHER-DIRECTED REMOTE FUNCTIONALIZATION AND SYSTEMATIC INVESTIGATION OF THE CHANGES IN FULLERENE PROPERTIES AS A FUNCTION OF DEGREE, PATTERN, AND NATURE OF FUNCTIONALIZATION, Helvetica Chimica Acta, 80(2), 1997, pp. 343-371
RADICAL IMPURITY MECHANISMS FOR HELIUM INCORPORATION INTO BUCKMINSTERFULLERENE
Authors: PATCHKOVSKII S THIEL W
Citation: S. Patchkovskii et W. Thiel, RADICAL IMPURITY MECHANISMS FOR HELIUM INCORPORATION INTO BUCKMINSTERFULLERENE, Helvetica Chimica Acta, 80(2), 1997, pp. 495-509
INTERACTION ENERGIES AND NMR CHEMICAL-SHIFTS OF NOBLE-GASES IN C-60
Authors: BUHL M PATCHKOVSKII S THIEL W
Citation: M. Buhl et al., INTERACTION ENERGIES AND NMR CHEMICAL-SHIFTS OF NOBLE-GASES IN C-60, Chemical physics letters, 275(1-2), 1997, pp. 14-18
ANHARMONIC-FORCE FIELDS FROM DENSITY-FUNCTIONAL THEORY
Authors: DRESSLER S THIEL W
Citation: S. Dressler et W. Thiel, ANHARMONIC-FORCE FIELDS FROM DENSITY-FUNCTIONAL THEORY, Chemical physics letters, 273(1-2), 1997, pp. 71-78
EQUILIBRIUM STRUCTURE OF PH2BR
Authors: BREIDUNG J THIEL W DEMAISON J
Citation: J. Breidung et al., EQUILIBRIUM STRUCTURE OF PH2BR, Chemical physics letters, 266(5-6), 1997, pp. 515-520
SILAETHENE H2C=SIH2 - MILLIMETER-WAVE SPECTRUM AND AB-INITIO CALCULATIONS
Authors: BAILLEUX S BOGEY M BREIDUNG J BURGER H FAJGAR R LIU YY POLA J SENZLOBER M THIEL W
Citation: S. Bailleux et al., SILAETHENE H2C=SIH2 - MILLIMETER-WAVE SPECTRUM AND AB-INITIO CALCULATIONS, Angewandte Chemie, International Edition in English, 35(21), 1996, pp. 2513-2515
A SEMIEMPIRICAL APPROACH TO NONLINEAR-OPTICAL PROPERTIES OF LARGE MOLECULES AT THE MNDO AND MNDO D LEVEL/
Authors: MALAGOLI M THIEL W
Citation: M. Malagoli et W. Thiel, A SEMIEMPIRICAL APPROACH TO NONLINEAR-OPTICAL PROPERTIES OF LARGE MOLECULES AT THE MNDO AND MNDO D LEVEL/, Chemical physics, 206(1-2), 1996, pp. 73-85
ANALYTICAL 2ND DERIVATIVES OF THE ENERGY IN MNDO METHODS
Authors: PATCHKOVSKII S THIEL W
Citation: S. Patchkovskii et W. Thiel, ANALYTICAL 2ND DERIVATIVES OF THE ENERGY IN MNDO METHODS, Journal of computational chemistry, 17(11), 1996, pp. 1318-1327
SEMIEMPIRICAL TREATMENT OF ELECTROSTATIC POTENTIALS AND PARTIAL CHARGES IN COMBINED QUANTUM-MECHANICAL AND MOLECULAR MECHANICAL APPROACHES
Authors: BAKOWIES D THIEL W
Citation: D. Bakowies et W. Thiel, SEMIEMPIRICAL TREATMENT OF ELECTROSTATIC POTENTIALS AND PARTIAL CHARGES IN COMBINED QUANTUM-MECHANICAL AND MOLECULAR MECHANICAL APPROACHES, Journal of computational chemistry, 17(1), 1996, pp. 87-108
LARGE ENHANCEMENT OF DEUTERON POLARIZATION WITH FREQUENCY-MODULATED MICROWAVES
Authors: ADEVA B ARIK E AHMAD S ARVIDSON A BADELEK B BALLINTIJN MK BARDIN G BAUM G BERGLUND P BETEV L BIRD IG BIRSA R BJORKHOLM P BONNER BE DEBOTTON N BOUTEMEUR M BRADAMANTE F BRESSAN A BRULL A BUCHANAN J BULTMANN S BURTIN E CAVATA C CHEN JP CLEMENT J CLOCCHIATTI M CORCORAN MD CRABB D CRANSHAW J CUHADAR J DALLATORRE S DESHPANDE A VANDANTZIG R DAY D DHAWAN S DULYA C DYRING A EICHBLATT S FAIVRE JC FASCHING D FEINSTEIN F FERNANDEZ C FROIS B GARABATOS C GARZON JA GAUSSIRAN T GIORGI M VONGOELER E GOLUTVIN IA GOMEZ A GRACIA G DEGROOT N PERDEKAMP MG GULMEZ E VONHARRACH D HASEGAWA T HAUTLE P HAYASHI N HEUSCH CA HORIKAWA N HUGHES VW IGO G ISHIMOTO S IWATA T DEJONG M KABUSS EM KAGEYA T KAISER R KAREV A KESSLER HJ KETEL TJ KIRYUSHIN I KISHI A KISSELEV Y KLOSTERMANN L KRAMER D KRIVOKHIJINE V KUKHTIN V KYYNARAINEN J LAMANNA M LANDGRAF U LAU K LAYDA T LEGOFF JM LEHAR F DELESQUEN A LICHTENSTADT J LINDQVIST T LITMAATH M LOPEZPONTE S LOWE M MAGNON A MALLET GK MARIE F MARTIN A MARTINO J MATSUDA T MAYES B MCCARTHY JS MEDVED K VANMIDDELKOOP G MILLER D MITCHELL J MORI K MOROMISATO J MUTCHLER GS NAGAITSEV A NASSALSKI J NAUMANN L NEGANOV B NIINIKOSKI TO OBERSKI JEJ OGAWA A OKUMI S OZBEN CS PENZO A PEREZ CA PERROTKUNNE F PESHEKHONOV D PIEGAIA R PINSKY L PLATCHKOV S PLO M POSE D POSTMA H PRETZ J PUSSIEUX T PYRLIK J REYHANCAN I RIEUBLAND JM RIJLLART A ROBERTS JB ROCK SE RODRIGUEZ M RONDIO E RONDON O ROPELEWSKI L ROSADO A SABO I SABORIDO J SALVATO G SANDACZ A SANDERS D SAVIN I SCHIAVON P SCHULER KP SEGEL R SEITZ R SEMERTZIDIS Y SERGEEV S SEVER F SHANAHAN P SICHTERMANN E SMIRNOV G STAUDE A STEINMETZ A STUHRMANN H TEICHERT KM TESSAROTTO F THIEL W VELASCO M VOGT J VOSS R WEINSTEIN R WHITTEN C WILLUMEIT R WINDMOLDERS R WISLICKI W WITZMANN A YANEZ A ZAMIATIN NI ZANETTI AM ZHAO J
Citation: B. Adeva et al., LARGE ENHANCEMENT OF DEUTERON POLARIZATION WITH FREQUENCY-MODULATED MICROWAVES, Nuclear instruments & methods in physics research. Section A, Accelerators, spectrometers, detectors and associated equipment, 372(3), 1996, pp. 339-343
ANALYTICAL FIRST DERIVATIVES OF THE ENERGY IN THE MNDO HALF-ELECTRON OPEN-SHELL TREATMENT
Authors: PATCHKOVSKII S THIEL W
Citation: S. Patchkovskii et W. Thiel, ANALYTICAL FIRST DERIVATIVES OF THE ENERGY IN THE MNDO HALF-ELECTRON OPEN-SHELL TREATMENT, Theoretica Chimica Acta, 93(2), 1996, pp. 87-99
X-RAY-INVESTIGATIONS ON 3 CRYSTALLINE FOR MS OF ALPRAZOLAM
Authors: RECK G THIEL W BAHR F SAUER W SCHARFENBERGPFEIFFER D LANDGRAF KF
Citation: G. Reck et al., X-RAY-INVESTIGATIONS ON 3 CRYSTALLINE FOR MS OF ALPRAZOLAM, Die Pharmazie, 51(8), 1996, pp. 553-558
BILATERAL CALCINOSIS CIRCUMSCRIPTA IN A G ERMAN-SHEPHERD DOG WITH ADDITIONAL INCIDENCE OF A METASTASIZING OSTEOSARCOMA AND BILATERAL ACROPACHY OF THE FORELIMBS
Authors: HARTMANN M STEIDL T THIEL W
Citation: M. Hartmann et al., BILATERAL CALCINOSIS CIRCUMSCRIPTA IN A G ERMAN-SHEPHERD DOG WITH ADDITIONAL INCIDENCE OF A METASTASIZING OSTEOSARCOMA AND BILATERAL ACROPACHY OF THE FORELIMBS, Kleintierpraxis, 41(6), 1996, pp. 421
HYBRID MODELS FOR COMBINED QUANTUM-MECHANICAL AND MOLECULAR MECHANICAL APPROACHES
Authors: BAKOWIES D THIEL W
Citation: D. Bakowies et W. Thiel, HYBRID MODELS FOR COMBINED QUANTUM-MECHANICAL AND MOLECULAR MECHANICAL APPROACHES, Journal of physical chemistry, 100(25), 1996, pp. 10580-10594
EXTENSION OF MNDO TO D-ORBITALS - PARAMETERS AND RESULTS FOR THE 2ND-ROW ELEMENTS AND FOR THE ZINC GROUP
Authors: THIEL W VOITYUK AA
Citation: W. Thiel et Aa. Voityuk, EXTENSION OF MNDO TO D-ORBITALS - PARAMETERS AND RESULTS FOR THE 2ND-ROW ELEMENTS AND FOR THE ZINC GROUP, Journal of physical chemistry, 100(2), 1996, pp. 616-626
EQUILIBRIUM STRUCTURE AND SPECTROSCOPIC CONSTANTS OF DIFLUOROETHYNE -AN AB-INITIO STUDY
Authors: BREIDUNG J HANSEN T THIEL W
Citation: J. Breidung et al., EQUILIBRIUM STRUCTURE AND SPECTROSCOPIC CONSTANTS OF DIFLUOROETHYNE -AN AB-INITIO STUDY, Journal of molecular spectroscopy, 179(1), 1996, pp. 73-78
THEORETICAL-STUDY OF THE VIBRATIONAL-SPECTRA OF THE TRANSITION-METAL CARBONYL HYDRIDES HM(CO)(5) (M=MN, RE), H(2)M(CO)(4) (M=FE, RU, OS), AND HM(CO)(4) (M=CO, RH, IR)
Authors: JONAS V THIEL W
Citation: V. Jonas et W. Thiel, THEORETICAL-STUDY OF THE VIBRATIONAL-SPECTRA OF THE TRANSITION-METAL CARBONYL HYDRIDES HM(CO)(5) (M=MN, RE), H(2)M(CO)(4) (M=FE, RU, OS), AND HM(CO)(4) (M=CO, RH, IR), The Journal of chemical physics, 105(9), 1996, pp. 3636-3648
AB-INITIO CALCULATIONS AND HIGH-RESOLUTION INFRARED INVESTIGATION ON XEF4
Authors: BURGER H MA S BREIDUNG J THIEL W
Citation: H. Burger et al., AB-INITIO CALCULATIONS AND HIGH-RESOLUTION INFRARED INVESTIGATION ON XEF4, The Journal of chemical physics, 104(13), 1996, pp. 4945-4953
MILLIMETER-WAVE SPECTRA, AB-INITIO CALCULATIONS, AND STRUCTURES OF FLUOROPHOSPHANE AND CHLOROPHOSPHANE
Authors: DREAN P PAPLEWSKI M DEMAISON J BREIDUNG J THIEL W BECKERS H BURGER H
Citation: P. Drean et al., MILLIMETER-WAVE SPECTRA, AB-INITIO CALCULATIONS, AND STRUCTURES OF FLUOROPHOSPHANE AND CHLOROPHOSPHANE, Inorganic chemistry, 35(26), 1996, pp. 7671-7678
ELECTRONIC-STRUCTURES, GEOMETRIES, AND ENERGETICS OF HIGHLY-CHARGED CATIONS OF THE C-60 FULLERENE
Authors: CIOSLOWSKI J PATCHKOVSKII S THIEL W
Citation: J. Cioslowski et al., ELECTRONIC-STRUCTURES, GEOMETRIES, AND ENERGETICS OF HIGHLY-CHARGED CATIONS OF THE C-60 FULLERENE, Chemical physics letters, 248(1-2), 1996, pp. 116-120
I-HAVE-BUILT-YOU-AN-EXALTED-HOUSE - TEMPL E BUILDING IN THE BIBLE IN LIGHT OF MESOPOTAMIAN AND NORTHWEST SEMITIC WRITINGS - HUROWITZ,V
Authors: THIEL W
Citation: W. Thiel, I-HAVE-BUILT-YOU-AN-EXALTED-HOUSE - TEMPL E BUILDING IN THE BIBLE IN LIGHT OF MESOPOTAMIAN AND NORTHWEST SEMITIC WRITINGS - HUROWITZ,V, Biblische Zeitschrift, 40(2), 1996, pp. 308-310
HOW DOES HELIUM GET INTO BUCKMINSTERFULLERENE
Authors: PATCHKOVSKII S THIEL W
Citation: S. Patchkovskii et W. Thiel, HOW DOES HELIUM GET INTO BUCKMINSTERFULLERENE, Journal of the American Chemical Society, 118(30), 1996, pp. 7164-7172
Risultati: 1-25 | 26-50 | 51-75 | 76-97