J. P. P. Ramalho

发表

NUMERICAL SIMULATION OF SURFACE IONISATION AND SPECIFIC ADSORPTION ON A TWO-SITE MODEL OF A CARBON SURFACE

P. Carrott, M. Carrott, A. Candeias, 1995 .

Adsorption integral equation via complex approximation with constraints: The Langmuir kernel

G. Smirnov, V. Bushenkov, J. P. P. Ramalho, 2000, J. Comput. Chem..

Experimental and Simulation Study of n-Heptane Adsorption on Rutile

G. Rakhmatkariev, A. Carvalho, J. P. P. Ramalho, 2007 .

Simulation study of argon adsorption on (0 0 1) faces of phyllosilicates

A. Carvalho, F. Villieras, J. P. P. Ramalho, 2007 .

A Monte Carlo and transfer-matrix grid path-integral study of the vibrational structure of Br2 in solid argon

B. Cabral, J. P. P. Ramalho, F. M. Fernandes, 1991 .

Mono(η5-cyclopentadienyl)metal(II) Complexes with Thienyl Acetylide Chromophores: Synthesis, Electrochemical Studies, and First Hyperpolarizabilities

J. Heck, A. Carvalho, Christian Wittenburg, 2014 .

Density functional theory calculations on η5-monocyclopentadienylnitrilecobalt complexes concerning their second-order nonlinear optical properties

A. Candeias, J. P. P. Ramalho, P. Mendes, 2005 .

Adsorption of sulfamethoxazole molecule on silver colloids: A joint SERS and DFT study

V. Chiș, M. Oltean, N. Leopold, 2014 .

Methyl-cyclopentadienyl Ruthenium Compounds with 2,2'-Bipyridine Derivatives Display Strong Anticancer Activity and Multidrug Resistance Potential.

P. Falson, J. P. P. Ramalho, F. Marques, 2018, Inorganic chemistry.

Benzo[c]thiophene Chromophores Linked to Cationic Fe and Ru Derivatives for NLO Materials: Synthesis Characterization and Quadratic Hyperpolarizabilities

J. Heck, A. Carvalho, Christian Wittenburg, 2013 .

Role played by the organometallic fragment on the first hyperpolarizability of iron–acetylide complexes: A TD-DFT study

A. Carvalho, J. P. P. Ramalho, P. Mendes, 2009 .

Cu(I) catalysed cyclopropanation of olefins: Stereoselectivity studies with Arylid-Box and Isbut-Box ligands

Nuno M. M. Moura, A. Burke, Elisabete P. Carreiro, 2007 .

Conformational landscape and low lying excited states of imatinib

V. Chiș, J. P. P. Ramalho, E. Vinţeler, 2015, Journal of Molecular Modeling.

Influence of surface ionization on the adsorption of aqueous zinc species by activated carbons

P. Carrott, M. Carrott, J. P. P. Ramalho, 1997 .

Acetonitrile Adducts of Tranexamic Acid as Sensitive Ions for Quantification at Residue Levels in Human Plasma by UHPLC-MS/MS

L. Barreiros, M. Segundo, Sara R. Fernandes, 2021, Pharmaceuticals.

Modeling Gd3+ Complexes for Molecular Dynamics Simulations: Toward a Rational Optimization of MRI Contrast Agents

Alexandre C. Oliveira, Luís M. S. Loura, A. Salvador, 2022, Inorganic chemistry.

Molecular dynamics simulations of T-20 HIV fusion inhibitor interacting with model membranes.

Luís M. S. Loura, A. Carvalho, J. P. P. Ramalho, 2011, Biophysical chemistry.

Structure and conformation of HIV fusion inhibitor peptide T-1249 in presence of model membranes: A molecular dynamics study

Luís M. S. Loura, A. Carvalho, J. P. P. Ramalho, 2010 .

Development of a Simple Method for Labeling and Identification of Protein Binders in Art

C. Salvador, A. T. Caldeira, J. P. P. Ramalho, 2019, Heritage.

Prediction of diffusion coefficients of chlorophenols in water by computer simulation

E. Filipe, J. P. P. Ramalho, Luís F. G. Martins, 2015 .

Adenine as an organocatalyst for the ring-opening polymerization of lactide: scope, mechanism and access to adenine-functionalized polylactide

P. Zinck, J. P. P. Ramalho, M. Bria, 2016 .

Adsorption of Ar atoms on the relaxed defect-freeTiO2(110)surface

J. Gomes, J. P. P. Ramalho, J. Ramalho, 2005 .

Influence of Ionic Liquids on the Aggregation and Pre-aggregation Phenomena of Asphaltenes in Model Solvent Mixtures by Molecular Dynamics Simulations and Quantum Mechanical Calculations

A. Carvalho, E. Filipe, J. P. P. Ramalho, 2022, Energy & Fuels.

Palladium catalysed sequential imine arylation/Suzuki–Miyaura coupling: synthesis of α-(biarylyl)benzylamines

A. Burke, J. P. P. Ramalho, C. Marques, 2015 .

Evaluation of phosphinoamidoester-derived Pd catalysts in the asymmetric allylic alkylation reaction: theoretical studies and mechanistic insights.

A. Burke, J. P. P. Ramalho, A. Rodrigues, 2011, Chirality.

Adsorption integral equation via complex approximation with constraints: kernel of general form

Vladimir A. Bushenkov, Georgi V. Smirnov, João Paulo Prates Ramalho, 2001, J. Comput. Chem..

A catalytic route to dibenzodiazepines involving Buchwald–Hartwig coupling: reaction scope and mechanistic consideration

Daniela Peixoto, A. Burke, A. Goth, 2015 .

Isbut-Box: A new chiral C2 symmetric bis-oxazoline for catalytic enantioselective synthesis

A. Burke, Elisabete P. Carreiro, J. P. P. Ramalho, 2005 .

A Comparison of (R,R)-Me-DUPHOS and (R,R)-DUPHOS-iPr Ligands in the Pd0-Catalysed Asymmetric Allylic Alkylation Reaction: Stereochemical and Kinetic Considerations

A. Burke, J. P. P. Ramalho, A. Rodrigues, 2009 .

Arylid-OX and Arylid-BOX derived catalysts: applications in catalytic asymmetric cyclopropanation

A. Burke, Elisabete P. Carreiro, J. P. P. Ramalho, 2009 .

Chiral monooxazolines as modular copper(I)-heterocomplex building blocks: investigations on the catalytic asymmetric cyclopropanation of alkenes

A. Burke, Elisabete P. Carreiro, J. P. P. Ramalho, 2011 .

Chiral enhancement via surface-confined supramolecular self-assembly at the electrified liquid/solid interface

E. Bodoki, R. Oprean, Bogdan-Cezar Iacob, 2021 .

DFT studies on thiophene acetylide Ru(II) complexes for nonlinear optics: Structure–function relationships and solvent effects

A. Carvalho, J. P. P. Ramalho, Tiago J. L. Silva, 2010 .