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Results: 1-17 |
Results: 17
EXPLICITLY CORRELATED COUPLED-CLUSTER CALCULATIONS OF THE DISSOCIATION-ENERGIES AND BARRIERS TO CONCERTED HYDROGEN-EXCHANGE OF (HF)(N) OLIGOMERS (N = 2, 3, 4, 5)
Authors: KLOPPER W QUACK M SUHM MA
Citation: W. Klopper et al., EXPLICITLY CORRELATED COUPLED-CLUSTER CALCULATIONS OF THE DISSOCIATION-ENERGIES AND BARRIERS TO CONCERTED HYDROGEN-EXCHANGE OF (HF)(N) OLIGOMERS (N = 2, 3, 4, 5), Molecular physics, 94(1), 1998, pp. 105-119
HF DIMER - EMPIRICALLY REFINED ANALYTICAL POTENTIAL-ENERGY AND DIPOLEHYPERSURFACES FROM AB-INITIO CALCULATIONS
Authors: KLOPPER W QUACK M SUHM MA
Citation: W. Klopper et al., HF DIMER - EMPIRICALLY REFINED ANALYTICAL POTENTIAL-ENERGY AND DIPOLEHYPERSURFACES FROM AB-INITIO CALCULATIONS, The Journal of chemical physics, 108(24), 1998, pp. 10096-10115
A CRITICAL ANALYSIS OF ELECTRONIC DENSITY FUNCTIONALS FOR STRUCTURAL,ENERGETIC, DYNAMIC, AND MAGNETIC-PROPERTIES OF HYDROGEN-FLUORIDE CLUSTERS
Authors: MAERKER C SCHLEYER PV LIEDL KR HA TK QUACK M SUHM MA
Citation: C. Maerker et al., A CRITICAL ANALYSIS OF ELECTRONIC DENSITY FUNCTIONALS FOR STRUCTURAL,ENERGETIC, DYNAMIC, AND MAGNETIC-PROPERTIES OF HYDROGEN-FLUORIDE CLUSTERS, Journal of computational chemistry, 18(14), 1997, pp. 1695-1719
FTIR SPECTROSCOPY OF HYDROGEN-FLUORIDE CLUSTERS IN SYNCHRONOUSLY PULSED SUPERSONIC JETS - ISOTOPIC ISOLATION, SUBSTITUTION AND 3-D CONDENSATION
Authors: QUACK M SCHMITT U SUHM MA
Citation: M. Quack et al., FTIR SPECTROSCOPY OF HYDROGEN-FLUORIDE CLUSTERS IN SYNCHRONOUSLY PULSED SUPERSONIC JETS - ISOTOPIC ISOLATION, SUBSTITUTION AND 3-D CONDENSATION, Chemical physics letters, 269(1-2), 1997, pp. 29-38
ON HYDROGEN-BONDED COMPLEXES - THE CASE OF (HF)(2)
Authors: QUACK M SUHM MA
Citation: M. Quack et Ma. Suhm, ON HYDROGEN-BONDED COMPLEXES - THE CASE OF (HF)(2), Theoretica Chimica Acta, 93(2), 1996, pp. 61-65
THE PERMANENT ELECTRIC-DIPOLE MOMENT OF CH2D2 - FIR SPECTROSCOPY, CENTRIFUGAL-DISTORTION EFFECTS AND QUANTUM MONTE-CARLO CALCULATIONS WITH 9-DIMENSIONAL ANALYTICAL DIPOLE-MOMENT AND POTENTIAL FUNCTIONS OF METHANE
Authors: SIGNORELL R MARQUARDT R QUACK M SUHM MA
Citation: R. Signorell et al., THE PERMANENT ELECTRIC-DIPOLE MOMENT OF CH2D2 - FIR SPECTROSCOPY, CENTRIFUGAL-DISTORTION EFFECTS AND QUANTUM MONTE-CARLO CALCULATIONS WITH 9-DIMENSIONAL ANALYTICAL DIPOLE-MOMENT AND POTENTIAL FUNCTIONS OF METHANE, Molecular physics, 89(1), 1996, pp. 297-313
BREAKING SYMMETRY WITH HYDROGEN-BONDS - VIBRATIONAL PREDISSOCIATION AND ISOMERIZATION DYNAMICS IN HF-DF AND DF-HF ISOTOPOMERS
Authors: FARRELL JT SUHM MA NESBITT DJ
Citation: Jt. Farrell et al., BREAKING SYMMETRY WITH HYDROGEN-BONDS - VIBRATIONAL PREDISSOCIATION AND ISOMERIZATION DYNAMICS IN HF-DF AND DF-HF ISOTOPOMERS, The Journal of chemical physics, 104(23), 1996, pp. 9313-9331
A NEW AB-INITIO BASED 6-DIMENSIONAL SEMIEMPIRICAL PAIR INTERACTION POTENTIAL FOR HF
Authors: KLOPPER W QUACK M SUHM MA
Citation: W. Klopper et al., A NEW AB-INITIO BASED 6-DIMENSIONAL SEMIEMPIRICAL PAIR INTERACTION POTENTIAL FOR HF, Chemical physics letters, 261(1-2), 1996, pp. 35-44
POTENTIAL SURFACES AND DYNAMICS OF WEAKLY-BOUND TRIMERS - PERSPECTIVES FROM HIGH-RESOLUTION IR SPECTROSCOPY
Authors: SUHM MA NESBITT DJ
Citation: Ma. Suhm et Dj. Nesbitt, POTENTIAL SURFACES AND DYNAMICS OF WEAKLY-BOUND TRIMERS - PERSPECTIVES FROM HIGH-RESOLUTION IR SPECTROSCOPY, Chemical Society reviews, 24(1), 1995, pp. 45-54
ACCURATE QUANTUM MONTE-CARLO CALCULATIONS OF THE TUNNELING SPLITTING IN (HF)(2) ON A 6-DIMENSIONAL POTENTIAL HYPERSURFACE
Authors: QUACK M SUHM MA
Citation: M. Quack et Ma. Suhm, ACCURATE QUANTUM MONTE-CARLO CALCULATIONS OF THE TUNNELING SPLITTING IN (HF)(2) ON A 6-DIMENSIONAL POTENTIAL HYPERSURFACE, Chemical physics letters, 234(1-3), 1995, pp. 71-76
DIPOLE-MOMENT FUNCTION OF METHANE AND ANALYTICAL ANHARMONIC, 9-DIMENSIONAL POTENTIAL SURFACE - THEORY AND EXPERIMENT FOR THE PERMANENT ELECTRIC-DIPOLE MOMENT OF CH2D2 USING QUANTUM MONTE-CARLO CALCULATIONS ANDFIR SPECTROSCOPY
Authors: HOLLENSTEIN H MARQUARDT RR QUACK M SUHM MA
Citation: H. Hollenstein et al., DIPOLE-MOMENT FUNCTION OF METHANE AND ANALYTICAL ANHARMONIC, 9-DIMENSIONAL POTENTIAL SURFACE - THEORY AND EXPERIMENT FOR THE PERMANENT ELECTRIC-DIPOLE MOMENT OF CH2D2 USING QUANTUM MONTE-CARLO CALCULATIONS ANDFIR SPECTROSCOPY, Berichte der Bunsengesellschaft fur Physikalische Chemie, 99(3), 1995, pp. 275-281
ON FTIR SPECTROSCOPY IN ASYNCHRONOUSLY PULSED SUPERSONIC FREE JET EXPANSIONS AND ON THE INTERPRETATION OF STRETCHING SPECTRA OF HF CLUSTERS
Authors: LUCKHAUS D QUACK M SCHMITT U SUHM MA
Citation: D. Luckhaus et al., ON FTIR SPECTROSCOPY IN ASYNCHRONOUSLY PULSED SUPERSONIC FREE JET EXPANSIONS AND ON THE INTERPRETATION OF STRETCHING SPECTRA OF HF CLUSTERS, Berichte der Bunsengesellschaft fur Physikalische Chemie, 99(3), 1995, pp. 457-468
HF VAPOR
Authors: SUHM MA
Citation: Ma. Suhm, HF VAPOR, Berichte der Bunsengesellschaft fur Physikalische Chemie, 99(10), 1995, pp. 1159-1167
DIPOLE-MOMENT FUNCTION AND EQUILIBRIUM STRUCTURE OF METHANE IN AN ANALYTICAL, ANHARMONIC 9-DIMENSIONAL POTENTIAL SURFACE RELATED TO EXPERIMENTAL ROTATIONAL-CONSTANTS AND TRANSITION MOMENTS BY QUANTUM MONTE-CARLO CALCULATIONS
Authors: HOLLENSTEIN H MARQUARDT RR QUACK M SUHM MA
Citation: H. Hollenstein et al., DIPOLE-MOMENT FUNCTION AND EQUILIBRIUM STRUCTURE OF METHANE IN AN ANALYTICAL, ANHARMONIC 9-DIMENSIONAL POTENTIAL SURFACE RELATED TO EXPERIMENTAL ROTATIONAL-CONSTANTS AND TRANSITION MOMENTS BY QUANTUM MONTE-CARLO CALCULATIONS, The Journal of chemical physics, 101(5), 1994, pp. 3588-3602
RELIABLE DETERMINATION OF MULTIDIMENSIONAL ANALYTICAL FITTING BIAS
Authors: SUHM MA
Citation: Ma. Suhm, RELIABLE DETERMINATION OF MULTIDIMENSIONAL ANALYTICAL FITTING BIAS, Chemical physics letters, 223(5-6), 1994, pp. 474-480
MULTIDIMENSIONAL VIBRATIONAL QUANTUM MONTE-CARLO TECHNIQUE USING ROBUST INTERPOLATION FROM STATIC OR GROWING SETS OF DISCRETE POTENTIAL-ENERGY POINTS
Authors: SUHM MA
Citation: Ma. Suhm, MULTIDIMENSIONAL VIBRATIONAL QUANTUM MONTE-CARLO TECHNIQUE USING ROBUST INTERPOLATION FROM STATIC OR GROWING SETS OF DISCRETE POTENTIAL-ENERGY POINTS, Chemical physics letters, 214(3-4), 1993, pp. 373-380
EVIDENCE FOR THE (HF)5 COMPLEX IN THE HF STRETCHING FTIR ABSORPTION-SPECTRA OF PULSED AND CONTINUOUS SUPERSONIC JET EXPANSIONS OF HYDROGEN-FLUORIDE
Authors: QUACK M SCHMITT U SUHM MA
Citation: M. Quack et al., EVIDENCE FOR THE (HF)5 COMPLEX IN THE HF STRETCHING FTIR ABSORPTION-SPECTRA OF PULSED AND CONTINUOUS SUPERSONIC JET EXPANSIONS OF HYDROGEN-FLUORIDE, Chemical physics letters, 208(5-6), 1993, pp. 446-452
Risultati: 1-17 |