41
TITLE: A computational study on the thermochemistry of methylbenzo- and methyldibenzothiophenes  Full Text
AUTHORS: Freitas, VLS ; da Silva, MDMCR ; Gomes, JRB ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef: 13
42
TITLE: Adsorption of Xe atoms on the TiO2(110) surface: A density functional study  Full Text
AUTHORS: Gomes, JRB ; Prates P P Ramalho ; Illas, F;
PUBLISHED: 2010, SOURCE: SURFACE SCIENCE, VOLUME: 604, ISSUE: 3-4
INDEXED IN: Scopus WOS CrossRef: 12
43
TITLE: Cluster and periodic DFT calculations of adsorption of hydroxyl on the Au(h k l) surfaces  Full Text
AUTHORS: Ana M Pessoa ; Jose L C Fajin ; Jose R B Gomes ; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef: 28
44
TITLE: Density functional study of CO and NO adsorption on Ni-doped MgO(100)  Full Text
AUTHORS: Rosendo Valero ; Jose R B Gomes ; Donald G Truhlar; Francesc Illas;
PUBLISHED: 2010, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 132, ISSUE: 10
INDEXED IN: Scopus WOS CrossRef: 42
46
TITLE: DFT study on the reaction of NO oxidation on a stepped gold surface  Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2010, SOURCE: APPLIED CATALYSIS A-GENERAL, VOLUME: 379, ISSUE: 1-2
INDEXED IN: Scopus WOS CrossRef: 27
47
TITLE: Energetic effects of ether and ketone functional groups in 9,10-dihydroanthracene compound  Full Text
AUTHORS: Freitas, VLS ; Gomes, JRB ; da Silva, MDMCR ;
PUBLISHED: 2010, SOURCE: JOURNAL OF CHEMICAL THERMODYNAMICS, VOLUME: 42, ISSUE: 10
INDEXED IN: Scopus WOS CrossRef: 19
48
TITLE: Experimental and Computational Studies on the Structural and Thermodynamic Properties of Two Sulfur Heterocyclic Keto Compounds  Full Text
AUTHORS: Freitas, VLS ; Gomes, JRB ; Gales, L ; Damas, AM ; da Silva, MDMCR ;
PUBLISHED: 2010, SOURCE: JOURNAL OF CHEMICAL AND ENGINEERING DATA, VOLUME: 55, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef: 21
49
TITLE: Molecular energetics of 4-methyldibenzothiophene: An experimental study  Full Text
AUTHORS: Vera L S Freitas ; Jose R B Gomes ; Maria D M C R Ribeiro da Silva ;
PUBLISHED: 2010, SOURCE: JOURNAL OF CHEMICAL THERMODYNAMICS, VOLUME: 42, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef: 17
50
TITLE: SPECIAL ISSUE Achievements and Challenges of Computational Chemistry in Portugal: Selection of Papers Presented at the Portuguese Society Conference of Physical Chemistry Foreword  Full Text
AUTHORS: Jose R B Gomes ; Francesc Illas;
PUBLISHED: 2010, SOURCE: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3
INDEXED IN: Scopus WOS
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