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Author Cai, Z.L.; Martin, J.M.L.; François, J.P.; Gijbels, R. pdf  doi
openurl 
  Title Ab initio study of the X2\Sigma+ and A 2\Pi states of the SiN radical Type A1 Journal article
  Year (down) 1996 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 252 Issue 5/6 Pages 398-404  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The equilibrium bond length, harmonic frequency, first and second order anharmonicity constants, rotational and centrifugal distortion constants, as well as the rotation-vibrational and centrifugal coupling constants for the ground X(2) Sigma(+) and first excited A(2) Pi states of the SiN radical have been calculated at the complete active space SCF (CASSCF), multireference CI (MRCI) and coupled cluster (CCSD(T)) levels using Dunning's correlation-consistent basis sets. The excitation energy of the A(2) Pi State has also been computed at these theoretical levels. Dipole moments of SiN in the X(2) Sigma(+) and A(2) Pi states are given. Our study shows that core correlation must be considered in order to obtain satisfactory accuracy for the spectroscopic constants.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1996UJ45000017 Publication Date 2003-05-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.897 Times cited 28 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:12328 Serial 40  
Permanent link to this record
 
 
Author Martin, J.M.L.; El-Yazal, J.; François, J.P.; Gijbels, R. doi  openurl
  Title The structure and energetics of B3N2, B2N3, and BN4: symmetry breaking effects in B3N2 Type A1 Journal article
  Year (down) 1995 Publication Molecular physics Abbreviated Journal Mol Phys  
  Volume 85 Issue Pages 527-537  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos A1995RM01600007 Publication Date 2006-04-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-8976;1362-3028; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.72 Times cited 19 Open Access  
  Notes Approved  
  Call Number UA @ lucian @ c:irua:12279 Serial 3276  
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. doi  openurl
  Title Accurate ab initio quartic force fields for the sulfur compounds H2S, CS2, OCS and CS Type A1 Journal article
  Year (down) 1995 Publication Journal of molecular spectroscopy Abbreviated Journal J Mol Spectrosc  
  Volume 169 Issue Pages 445-457  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos A1995QD98400014 Publication Date 2002-09-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-2852; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.482 Times cited 37 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:12277 Serial 45  
Permanent link to this record
 
 
Author Martin, J.M.L.; El-Yazal, J.; François, J.P.; Gijbels, R. doi  openurl
  Title Structures and thermochemistry of B3N3 and B4N4 Type A1 Journal article
  Year (down) 1995 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 232 Issue Pages 289-294  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1995QC33700018 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.897 Times cited 35 Open Access  
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #  
  Call Number UA @ lucian @ c:irua:12278 Serial 3320  
Permanent link to this record
 
 
Author Martin, J.M.L.; Slanina, Z.; François, J.P.; Gijbels, R. doi  openurl
  Title The structure, energetics, and harmonic vibrations of B3N and BN3 Type A1 Journal article
  Year (down) 1994 Publication Molecular physics Abbreviated Journal Mol Phys  
  Volume 82 Issue Pages 155-164  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos A1994NN66200010 Publication Date 2006-04-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-8976;1362-3028; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.72 Times cited 19 Open Access  
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #  
  Call Number UA @ lucian @ c:irua:10254 Serial 3303  
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. doi  openurl
  Title Accurate ab initio quartic force fields and thermochemistry of FNO and CINO Type A1 Journal article
  Year (down) 1994 Publication The journal of physical chemistry Abbreviated Journal  
  Volume 98 Issue 44 Pages 11394-11400  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The quartic force fields of FNO and CINO have been computed at the CCSD(T)/cc-pVTZ level. Using an ''augmented'' basis set dramatically improves results for FNO but has no significant effect for CINO. The best computed force field for FNO yields harmonic frequencies and fundamentals in excellent agreement with experiment. Overall, the force fields proposed in the present work are probably the most reliable ones ever published for these molecules. Total atomization energies have been computed using basis sets of spdfg quality: our best estimates are Sigma D-0 = 208.5 +/- 1 and 185.4 +/- 1 kcal/mol for FN0 and CINO, respectively. The computed value for FNO suggests a problem with the established experimental heat of formation. Thermodynamic tables in JANAF style at 100-2000 K are presented for both FNO and CINO.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos A1994PP89400022 Publication Date 2005-03-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3654;1541-5740; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 21 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:12310 Serial 44  
Permanent link to this record
 
 
Author Martin, J.M.L.; Francois; Gijbels, R. doi  openurl
  Title The anharmonic-force field of thioformaldehyde, h2cs, by ab-initio methods Type A1 Journal article
  Year (down) 1994 Publication Journal of molecular spectroscopy Abbreviated Journal J Mol Spectrosc  
  Volume 168 Issue 2 Pages 363-373  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The quartic force field of thioformaldehyde has been calculated ab initio using large basis sets and augmented coupled cluster methods. Calculated fundamentals are in excellent agreement with experiment, as is the most important Coriolis coupling constant. Computed values for the anharmonicity, rovibrational coupling, and centrifugal distortion constants of the four isotopomers (H2CS)-S-32, (H2CS)-S-34, (HDCS)-S-32, and (D2CS)-S-32 have been reported. Predictions have been made for all vibrational transitions from the ground state to excited states with at most two quanta for these isotopomers, both using second-order perturbation theory corrected for Darling-Dennison resonance and using vibrational SCF-CI calculations. For (D2CS)-S-32, perturbation theory performs quite well; for the other isotopomers, performance is poorer for states involving excitation of the out-of-plane bend and, for the (H2CS)-S-32 and (H2CS)-S-34 isotopomers, also for the antisymmetric bend that is in severe Coriolis resonance with it. A possible explanation has been suggested. (C) 1994 Academic Press, Inc.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos A1994PU60800015 Publication Date 2002-10-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-2852; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.482 Times cited 18 Open Access  
  Notes Approved PHYSICS, APPLIED 47/145 Q2 #  
  Call Number UA @ lucian @ c:irua:95414 Serial 3570  
Permanent link to this record
 
 
Author Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R. doi  openurl
  Title Ab initio study of the spectroscopy, kinetics, and thermochemistry of the BN2 molecule Type A1 Journal article
  Year (down) 1994 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 222 Issue Pages 517-523  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1994NN02600016 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.897 Times cited 14 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:10255 Serial 36  
Permanent link to this record
 
 
Author Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R. pdf  doi
openurl 
  Title Ab initio study of the spectroscopy, kinetics, and thermochemistry of the C2N and CN2 molecules Type A1 Journal article
  Year (down) 1994 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 226 Issue 5/6 Pages 475-483  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Several structures and electronic states of the C2N and CN2 molecules have been studied using complete active space SCF (CASSCF), multireference configuration interaction (MRCI), and coupled cluster (CCSD(T)) methods. Both molecules are very stable. Our best computed total atomization energies SIGMAD(e) are 288.6 +/- 2 kcal/mol for CN2, and 294.1 +/- 2 kcal/mol for C2N. The CNC and CCN structures for C2N are nearly isoenergetic. CNN(3PI) lies about 30 kcal/mol above NCN(3PI(g)), but has a high barrier towards interconversion and is therefore observed experimentally. Computed harmonic frequencies for CNN are sensitive to the correlation treatment: they are reproduced well using multireference methods as well as the CCSD(T) method. High spin contamination has a detrimental effect on computed harmonic frequencies at the CCSD(T) level.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1994PE00500008 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.897 Times cited 46 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:10256 Serial 37  
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. openurl 
  Title The anharmonic force field of thioformaldehyde, H2CS Type A1 Journal article
  Year (down) 1994 Publication Journal of molecular spectroscopy Abbreviated Journal J Mol Spectrosc  
  Volume 168 Issue Pages 363-373  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos A1994PU60800015 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-2852 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.482 Times cited 18 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:10259 Serial 119  
Permanent link to this record
 
 
Author Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R. doi  openurl
  Title On the relative stabilities of the linear and triangular forms of B3N Type A1 Journal article
  Year (down) 1993 Publication Chemical physics Abbreviated Journal Chem Phys  
  Volume 178 Issue Pages 77-82  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1993MP94200006 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0301-0104; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.652 Times cited 9 Open Access  
  Notes Approved CHEMISTRY, MULTIDISCIPLINARY 65/163 Q2 # CRYSTALLOGRAPHY 10/26 Q2 #  
  Call Number UA @ lucian @ c:irua:6150 Serial 2453  
Permanent link to this record
 
 
Author Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R. doi  openurl
  Title The structure, energetics, and harmonic vibrations of B3N Type A1 Journal article
  Year (down) 1993 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 201 Issue Pages 54-58  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1993KF37900010 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.897 Times cited 20 Open Access  
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #  
  Call Number UA @ lucian @ c:irua:6145 Serial 3302  
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. doi  openurl
  Title The impact of quantum chemical methods on the interpretation of molecular spectra of carbon clusters (review article) Type A1 Journal article
  Year (down) 1993 Publication Journal of molecular structure Abbreviated Journal J Mol Struct  
  Volume 294 Issue Pages 21-24  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1993KU48000006 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-2860; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.602 Times cited 21 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:6148 Serial 1560  
Permanent link to this record
 
 
Author Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R. openurl 
  Title On the quasi-random entropy of linear species Type A1 Journal article
  Year (down) 1993 Publication Theochem: applications of theoretical chemistry to organic, inorganic and biological problems Abbreviated Journal  
  Volume 99 Issue Pages 83-87  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1993KU09200010 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0166-1280 ISBN Additional Links UA library record; WoS full record;  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:6147 Serial 2448  
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. doi  openurl
  Title On the structure, stability and infrared spectrum of B2N, B2N+, B2N-, BO, B2O and B2N2 Type A1 Journal article
  Year (down) 1992 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 193 Issue 4 Pages 243-250  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1992HZ32800007 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.897 Times cited 42 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:4194 Serial 2455  
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. openurl 
  Title Potential energy surface of B4 and the total atomization energies of B2, B3 and B4 Type A1 Journal article
  Year (down) 1992 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 189 Issue 6 Pages 529-536  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1992HF18100008 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.897 Times cited 50 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:4193 Serial 2685  
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. openurl 
  Title First principles computation of thermo-chemical properties beyond the harmonic approximation: 1: method and application to the water molecule and its isotopomers Type A1 Journal article
  Year (down) 1992 Publication The journal of chemical physics Abbreviated Journal J Chem Phys  
  Volume 96 Issue 10 Pages 7633-7645  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos A1992HU55700047 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.952 Times cited 59 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:4195 Serial 1206  
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. openurl 
  Title First principles computation of thermo-chemical properties beyond the harmonic approximation: 2: application to the amino radical and its isotopomers Type A1 Journal article
  Year (down) 1992 Publication The journal of chemical physics Abbreviated Journal J Chem Phys  
  Volume 97 Issue 5 Pages 3530-3536  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos A1992JL37200072 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.952 Times cited 22 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:4197 Serial 1207  
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R.; Almlöf, J. doi  openurl
  Title Structure and infrared spectroscopy of the C11 molecule Type A1 Journal article
  Year (down) 1991 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 187 Issue Pages 367-386  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1991GX46000005 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.897 Times cited 42 Open Access  
  Notes Approved  
  Call Number UA @ lucian @ c:irua:718 Serial 3281  
Permanent link to this record
 
 
Author Taylor, P.R.; Martin, J.M.L.; François, J.P.; Gijbels, R. openurl 
  Title An ab initio study of the C3+ cation using multireference methods Type A1 Journal article
  Year (down) 1991 Publication The journal of chemical physics Abbreviated Journal J Chem Phys  
  Volume 95 Issue Pages 6530-6534  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9606 ISBN Additional Links UA library record  
  Impact Factor 2.952 Times cited Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:720 Serial 39  
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R.; Almlöf, J. openurl 
  Title Structure and infrared spectroscopy of the C11 molecule Type MA3 Book as author
  Year (down) 1991 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords MA3 Book as author; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher University of Minnesota Place of Publication Minneapolis, Minn. Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved  
  Call Number UA @ lucian @ c:irua:717 Serial 3280  
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. openurl 
  Title The rotational partition function of the symmetric top and the effect of K doubling thereon Type A1 Journal article
  Year (down) 1991 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 187 Issue Pages 375-386  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1991GX46000006 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.897 Times cited 6 Open Access  
  Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 38/271 Q1 # METALLURGY & METALLURGICAL ENGINEERING 2/73 Q1 #  
  Call Number UA @ lucian @ c:irua:713 Serial 2931  
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. openurl 
  Title A critical comparison of MINDO/3, MNDO, AM1 and PM3 for a model problem: carbon clusters C2-C10. An ad hoc reparametrization of MNDO well suited for the accurate prediction of their spectroscopic constants Type A1 Journal article
  Year (down) 1991 Publication Journal of computational chemistry Abbreviated Journal J Comput Chem  
  Volume 12 Issue Pages 52-70  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Wiley Place of Publication New York, N.Y. Editor  
  Language Wos A1991EQ52200006 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0192-8651; 1096-987x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.589 Times cited 76 Open Access  
  Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 135/271 Q2 # PHYSICS, APPLIED 70/145 Q2 # PHYSICS, CONDENSED MATTER 40/67 Q3 #  
  Call Number UA @ lucian @ c:irua:712 Serial 541  
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. openurl 
  Title Ab initio study of the structure, infrared spectra and heat of formation of C4 Type A1 Journal article
  Year (down) 1991 Publication The journal of chemical physics Abbreviated Journal J Chem Phys  
  Volume 94 Issue Pages 3753-3761  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos A1991FA77800052 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.952 Times cited 62 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:715 Serial 38  
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. openurl 
  Title On the effect of centrifugal stretching on the rotational partition function of an asymmetric top Type A1 Journal article
  Year (down) 1991 Publication The journal of chemical physics Abbreviated Journal J Chem Phys  
  Volume 95 Issue Pages 8374-8389  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos A1991GR66500062 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.952 Times cited 12 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:716 Serial 2434  
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. openurl 
  Title On the heat formation of C8 and higher carbon clusters (letter to the editor) Type A1 Journal article
  Year (down) 1991 Publication The journal of chemical physics Abbreviated Journal J Chem Phys  
  Volume 95 Issue Pages 9420-9421  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos A1991GV82500076 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.952 Times cited 27 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:719 Serial 2437  
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. openurl 
  Title Ab initio spectroscopy and thermochemistry of the BN molecule Type A1 Journal article
  Year (down) 1991 Publication Zeitschrift für Physik : D : atoms, molecules and clusters Abbreviated Journal  
  Volume 21 Issue Pages 47-55  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Berlin Editor  
  Language Wos A1991GA17200008 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0178-7683 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 17 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:714 Serial 34  
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