A. Pulido

发表

Adsorption of CO2 on Sodium-Exchanged Ferrierites: The Bridged CO2 Complexes Formed between Two Extraframework Cations

J. Čejka, A. Zukal, P. Nachtigall, 2009 .

Experimental and theoretical determination of adsorption heats of CO(2) over alkali metal exchanged ferrierites with different Si/Al ratio.

Petr Nachtigall, Barbara Gil, Ota Bludský, 2010, Physical chemistry chemical physics : PCCP.

An attempt to predict and rationalize relative stabilities and preferential germanium location in Si/Ge zeolites

A. Corma, A. Pulido, G. Sastre, 2005 .

Pentacoordinated germanium in AST zeolite synthesised in fluoride media. A 19F NMR validated computational study.

A. Corma, A. Pulido, G. Sastre, 2005, Chemical communications.

Combined Experimental and Theoretical Investigations of Heterogeneous Dual Cation Sites in Cu,M-FER Zeolites

D. Nachtigallová, R. Bulánek, K. Frolich, 2011 .

From Concept to Crystals via Prediction: Multi‐Component Organic Cage Pots by Social Self‐Sorting

B. Alston, A. Cooper, G. Day, 2019, Angewandte Chemie.

From Concept to Crystals via Prediction: Multi-Component Organic Cage Pots by Social Self-Sorting.

Rebecca L. Greenaway, B. Alston, A. Cooper, 2019, Angewandte Chemie.

Combined DFT/CC and IR spectroscopic studies on carbon dioxide adsorption on the zeolite H-FER

M. Delgado, C. Arean, P. Nachtigall, 2009 .

Propene epoxidation with O2 or H2-O2 mixtures over silver catalysts: theoretical insights into the role of the particle size.

A. Corma, M. Boronat, P. Concepción, 2014, Physical chemistry chemical physics : PCCP.

Propene Epoxidation with H2/H2O/O2 Mixtures Over Gold Atoms Supported on Defective Graphene: A Theoretical Study

A. Corma, M. Boronat, A. Pulido, 2012 .

Aerobic epoxidation of propene over silver (111) and (100) facet catalysts

A. Corma, M. Boronat, P. Concepción, 2012 .

Hydrogen adsorption on the zeolite Ca-A: DFT and FT-IR investigation

C. Arean, G. T. Palomino, P. Nachtigall, 2009 .

Photocatalytic proton reduction by a computationally identified, molecular hydrogen-bonded framework

Christopher M. Kane, Reiner Sebastian Sprick, Peter R. Spackman, 2019, Journal of Materials Chemistry A.

Computational study of 19F NMR spectra of double four ring-containing Si/Ge-zeolites.

A. Corma, A. Pulido, G. Sastre, 2006, Chemphyschem : a European journal of chemical physics and physical chemistry.

Report on the sixth blind test of organic crystal structure prediction methods

Claire S. Adjiman, Julio C. Facelli, Sanjaya Lohani, 2016, Acta crystallographica Section B, Structural science, crystal engineering and materials.

Average Minimum Distances of periodic point sets.

A. Cooper, A. Pulido, V. Kurlin, 2020 .

Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[n]arene Crystals

Feihe Huang, A. Cooper, S. Chong, 2018, Journal of the American Chemical Society.

Computationally-Guided Synthetic Control over Pore Size in Isostructural Porous Organic Cages

B. Alston, R. Clowes, A. Cooper, 2017, ACS central science.

Lawrence Berkeley National Laboratory Recent Work Title Computationally-Guided Synthetic Control over Pore Size in Isostructural Porous Organic Cages Permalink

B. Alston, R. Clowes, A. Cooper, 2017 .

Effect of the Cα substitution on the ketonic decarboxylation of carboxylic acids: the role of entropy

A. Pulido, F. Gonell, B. Oliver-Tomas, 2017 .

Computational and Fourier Transform Infrared Spectroscopic Studies on Carbon Monoxide Adsorption on the Zeolites Na-ZSM-5 and K-ZSM-5: Evidence of Dual-Cation Sites

M. Delgado, C. Arean, R. Bulánek, 2008 .

Rigid/Flexible Organic Structure Directing Agents for Directing the Synthesis of Multipore Zeolites: A Computational Approach

A. Corma, A. Pulido, M. Moliner, 2015 .

Effect of the Cα substitution on the ketonic decarboxylation of carboxylic acids over m-ZrO2: the role of entropy

M. Boronat, A. Pulido, M. Renz, 2016 .

Computational and variable-temperature infrared spectroscopic studies on carbon monoxide adsorption on zeolite Ca-A.

C. Otero Areán, M. Rodríguez Delgado, P. Nachtigall, 2009, Chemphyschem : a European journal of chemical physics and physical chemistry.

Effect of the Germanium Incorporation in the Synthesis of EU-1, ITQ-13, ITQ-22, and ITQ-24 Zeolites

A. Corma, A. Pulido, G. Sastre, 2004 .

Functional materials discovery using energy–structure–function maps

Andrew I. Cooper, Graeme M. Day, Marc A. Little, 2017, Nature.

Reticular synthesis of porous molecular 1D nanotubes and 3D networks.

R. Clowes, A. Cooper, S. Chong, 2017, Nature chemistry.

Reticular Synthesis of Porous Molecular 1-Dimensional Nanotubes and 3-Dimensional Networks

Xiaofeng Wu, Andrew I. Cooper, Graeme M. Day, 2016 .

Ketonic decarboxylation reaction mechanism: a combined experimental and DFT study.

A. Corma, M. Boronat, A. Pulido, 2013, ChemSusChem.

Correlation Between Catalytic Activity and Metal Cation Coordination: NO Decomposition Over Cu/Zeolites

P. Nachtigall, A. Pulido, 2009 .

Theoretical investigation of dinitrosyl complexes in Cu-zeolites as intermediates in deNOx process.

P. Nachtigall, A. Pulido, 2009, Physical chemistry chemical physics : PCCP.

Periodic DFT investigation of the effect of aluminium content on the properties of the acid zeolite H-FER.

P. Nachtigall, A. Pulido, L. Grajciar, 2010, Physical chemistry chemical physics : PCCP.

Reconstruction of the carbon sp2 network in graphene oxide by low-temperature reaction with CO

A. Corma, M. Boronat, P. Concepción, 2012 .

Combined volumetric, infrared spectroscopic and theoretical investigation of CO2 adsorption on Na-A zeolite

J. Čejka, A. Zukal, M. Delgado, 2011 .

Evidence of heterogeneous dual cation sites in zeolites by combined IR and DFT investigation

R. Bulánek, K. Frolich, P. Nachtigall, 2008 .

Computational study of location and role of fluoride in zeolite structures.

A. Corma, A. Pulido, G. Sastre, 2006, The journal of physical chemistry. B.

Theoretical investigation of gold clusters supported on graphene sheets

A. Corma, M. Boronat, A. Pulido, 2011 .

Functional materials discovery using energy–structure–function maps

Christopher M. Kane, R. Clowes, A. Cooper, 2017, Nature.

The asymptotic behaviour and a near linear time algorithm for isometry invariants of periodic sets

A. Pulido, V. Kurlin, M. Mosca, 2020, 2009.02488.