71
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
72
TITLE: DFT studies on thiophene acetylide Ru(II) complexes for nonlinear optics: Structure-function relationships and solvent effects
AUTHORS: Mendes, PJ ; Silva, TJL; Carvalho, AJP ; Ramalho, JPP ;
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 Handle
73
TITLE: Direct calculation of Forster orientation factor of membrane probes by molecular simulation  Full Text
AUTHORS: Luis M S Loura ; Palace Carvalho, AJP ; Prates Ramalho, JPP ;
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: 15
74
TITLE: Molecular simulation of C-60 adsorption onto a TiO2 rutile (110) surface  Full Text
AUTHORS: Palace Carvalho, AJP ; Prates Ramalho, JPP ;
PUBLISHED: 2010, SOURCE: 7th International Symposium on Effects of Surface Heterogeneity in Adsorption and Catalysis on Solids in APPLIED SURFACE SCIENCE, VOLUME: 256, ISSUE: 17
INDEXED IN: Scopus WOS CrossRef: 4
75
TITLE: Structure and conformation of HIV fusion inhibitor peptide T-1249 in presence of model membranes: A molecular dynamics study  Full Text
AUTHORS: Martins do Canto, AMTM ; Palace Carvalho, AJP ; Prates Ramalho, JPP ; Luis M S Loura ;
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: 8
76
TITLE: A Comparison of (R,R)-Me-DUPHOS and (R,R)-DUPHOS-iPr Ligands in the Pd-0-Catalysed Asymmetric Allylic Alkylation Reaction: Stereochemical and Kinetic Considerations  Full Text
AUTHORS: Marinho, VR; Ramalho, JPP ; Rodrigues, AI; Burke, AJ ;
PUBLISHED: 2009, SOURCE: EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, VOLUME: 2009, ISSUE: 36
INDEXED IN: Scopus WOS CrossRef
78
TITLE: Fluorescent membrane probes' behavior in lipid bilayers: Insights from molecular dynamics simulations  Full Text
AUTHORS: Loura, LMS ; Prates Ramalho, JP ;
PUBLISHED: 2009, SOURCE: Biophysical Reviews, VOLUME: 1, ISSUE: 3
INDEXED IN: Scopus CrossRef: 19
79
TITLE: Role played by the organometallic fragment on the first hyperpolarizability of iron-acetylide complexes: A TD-DFT study
AUTHORS: Mendes, PJ ; Carvalho, AJP ; Ramalho, JPP ;
PUBLISHED: 2009, SOURCE: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 900, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef Handle
80
TITLE: The benzilic ester rearrangement: synthesis of labelled compounds and theoretical studies  Full Text
AUTHORS: Carolina S Marques ; Prates P P Ramalho ; Anthony J Burke ;
PUBLISHED: 2009, SOURCE: JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, VOLUME: 22, ISSUE: 8
INDEXED IN: Scopus WOS CrossRef
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