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Browsing by Author MARTIN, Jan

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TitleTypeIssue Date
1st principles computation of thermochemical properties beyond the harmonic approximation .1. Method and application to the water molecule and its isotopomers
JOURNAL OF CHEMICAL PHYSICS, 96(10). p. 7633-7645
Journal Contribution1992
Ab initio calibration study of the heat of formation, geometry, and anharmonic force field of fluoracetylene, FCCH
Journal of physical chemistry: A, 102. p. 2483-2492
Journal Contribution1998
Ab initio geometry determinations of proteins: 1: crambin
The journal of physical chemistry: A, 102. p. 2246-2251
Journal Contribution1998
Abinitio multireference study of the bn molecule
JOURNAL OF CHEMICAL PHYSICS, 97(9). p. 6549-6556
Journal Contribution1992
Abinitio spectroscopy and thermochemistry of the bn molecule
ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 21(1). p. 47-55
Journal Contribution1991
Ab initio spectroscopy and thermochemistry: some methodological advances and applications
Book1993
Ab initio study of the c3+ cation using multireference methods
JOURNAL OF PHYSICAL CHEMISTRY, 95(17). p. 6530-6534
Journal Contribution1991
Ab initio study of the electronic spectrum of the SiN radical
JOURNAL OF MOLECULAR SPECTROSCOPY, 188(1). p. 27-36
Journal Contribution1998
Ab-initio study of the isoelectronic molecules bcn, bnc, and c-3 including anharmonicity
JOURNAL OF PHYSICAL CHEMISTRY, 98(24). p. 6105-6109
Journal Contribution1994
Ab-initio study of the molecules bc and b2c
JOURNAL OF CHEMICAL PHYSICS, 100(12). p. 9002-9006
Journal Contribution1994
Ab-initio study of the spectroscopy and thermochemistry of the c2n and cn2 molecules
CHEMICAL PHYSICS LETTERS, 226(5-6). p. 475-483
Journal Contribution1994
Ab-initio study of the spectroscopy, kinetics, and thermochemistry of the bn2 molecule
CHEMICAL PHYSICS LETTERS, 222(5). p. 517-523
Journal Contribution1994
Abinitio study of the structure, infrared-spectra, and heat of formation of c4
JOURNAL OF CHEMICAL PHYSICS, 94(5). p. 3753-3761
Journal Contribution1991
Ab initio study of the X2Σ+ and A 2Π states of the SiN radical
Chemical physics letters, 252(5-6). p. 398-404
Journal Contribution1996
Ab initio thermochemistry beyond chemical accuracy for first- and second-row compounds
Energetics of stable molecules and reactive intermediates, p. 373-415.
Book Section1999
Ab initio total atomization energies of small molecules: towards the basis set limit
Chemical physics letters, 259(5-6). p. 669-678
Journal Contribution1996
Accurate ab initio anharmonic force field and heat of formation for silane
Molecular physics, 97(8). p. 945-953
Journal Contribution1999
Accurate ab initio quartic force field and vibrational frequencies of the NH4+ ion and its deuterated forms
Chemical physics letters, 258(1-2). p. 129-135
Journal Contribution1996
Accurate ab initio quartic force field for trans-HNNH and treatment of resonance polyads
Spectrochimica acta: part A: molecular and biomolecular spectroscopy, 53(8). p. 1039-1050
Journal Contribution1997
Accurate ab initio quartic force fields and thermochemistry of FNO and CINO
The journal of physical chemistry, 98(44). p. 11394-11400
Journal Contribution1994
Showing results 1 to 20 of 133