| Year |
Citation |
Score |
| 2023 |
Novoa T, Laplaza R, Peccati F, Fuster F, Contreras-García J. The NCIWEB Server: A Novel Implementation of the Noncovalent Interactions Index for Biomolecular Systems. Journal of Chemical Information and Modeling. 63: 4483-4489. PMID 37537899 DOI: 10.1021/acs.jcim.3c00271 |
0.321 |
|
| 2023 |
Novoa T, Contreras-García J, Chaquin P. Conformational preference analysis in CH using orbital forces and non-covalent interactions; comparison with related systems. Physical Chemistry Chemical Physics : Pccp. 25: 4276-4283. PMID 36688469 DOI: 10.1039/d2cp04913a |
0.318 |
|
| 2023 |
Wieduwilt EK, Boto RA, Macetti G, Laplaza R, Contreras-García J, Genoni A. Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses. Journal of Chemical Theory and Computation. PMID 36656682 DOI: 10.1021/acs.jctc.2c01092 |
0.791 |
|
| 2023 |
Landeros-Rivera B, Ramírez-Palma D, Cortés-Guzmán F, Dominiak PM, Contreras-García J. How do density functionals affect the Hirshfeld atom refinement? Physical Chemistry Chemical Physics : Pccp. PMID 36644944 DOI: 10.1039/d2cp04098k |
0.312 |
|
| 2021 |
Munárriz J, Gallegos M, Contreras-García J, Martín Pendás Á. Energetics of Electron Pairs in Electrophilic Aromatic Substitutions. Molecules (Basel, Switzerland). 26. PMID 33478091 DOI: 10.3390/molecules26020513 |
0.348 |
|
| 2020 |
Laplaza R, Cárdenas C, Chaquin P, Contreras-García J, Ayers PW. Orbital energies and nuclear forces in DFT: Interpretation and validation. Journal of Computational Chemistry. PMID 33301201 DOI: 10.1002/jcc.26459 |
0.526 |
|
| 2020 |
Laplaza R, Boto RA, Contreras-García J, Montero-Campillo MM. Steric clash in real space: biphenyl revisited. Physical Chemistry Chemical Physics : Pccp. PMID 32935706 DOI: 10.1039/D0Cp03359F |
0.78 |
|
| 2020 |
Sans JA, Vilaplana R, da Silva EL, Popescu C, Cuenca-Gotor VP, Andrada-Chacón A, Sánchez-Benitez J, Gomis O, Pereira ALJ, Rodríguez-Hernández P, Muñoz A, Daisenberger D, García-Domene B, Segura A, Errandonea D, et al. Characterization and Decomposition of the Natural van der Waals SnSbTe under Compression. Inorganic Chemistry. PMID 32640163 DOI: 10.1021/Acs.Inorgchem.0C01086 |
0.354 |
|
| 2020 |
Boto RÁ, Peccati F, Laplaza R, Quan C, Carbone A, Piquemal JP, Maday Y, Contreras-Garcia J. NCIPLOT4: fast, robust and quantitative analysis of noncovalent interactions. Journal of Chemical Theory and Computation. PMID 32470306 DOI: 10.1021/Acs.Jctc.0C00063 |
0.801 |
|
| 2020 |
Yepes D, Munarriz J, l'Anson D, Contreras-Garcia J, Jaque P. Real Space Approach to the Reaction Force: Understanding the Origin of Synchronicity/Nonsynchronicity in Multi-Bond Chemical Reactions. The Journal of Physical Chemistry. A. PMID 32058718 DOI: 10.1021/Acs.Jpca.9B10508 |
0.373 |
|
| 2020 |
Klein J, Khartabil H, Boisson JC, Contreras-Garcia J, Piquemal JP, Henon E. A New Way for Probing Bond Strength. The Journal of Physical Chemistry. A. PMID 32039597 DOI: 10.1021/Acs.Jpca.9B09845 |
0.62 |
|
| 2020 |
Orenha RP, da Silva VB, Caramori GF, de Souza Schneider FS, Piotrowski MJ, Contreras-Garcia J, Cardenas C, Briese Gonçalves M, Mendizabal F, Parreira RLT. On the recognition of chloride, bromide and nitrate anions by anthracene–squaramide conjugated compounds: a computational perspective New Journal of Chemistry. 44: 17831-17839. DOI: 10.1039/D0Nj03685D |
0.378 |
|
| 2020 |
Wu F, Deraedt C, Cornaton Y, Contreras-Garcia J, Boucher M, Karmazin L, Bailly C, Djukic J. Making Base-Assisted C–H Bond Activation by Cp*Co(III) Effective: A NoncovalentInteraction-Inclusive Theoretical Insight and Experimental Validation Organometallics. 39: 2609-2629. DOI: 10.1021/Acs.Organomet.0C00253 |
0.309 |
|
| 2019 |
Laplaza R, Polo V, Contreras-Garcia J. A Bond Charge Model Ansatz for Intrinsic Bond Energies: Application to C-C Bonds. The Journal of Physical Chemistry. A. PMID 31829594 DOI: 10.1021/Acs.Jpca.9B10251 |
0.415 |
|
| 2019 |
Chaquin P, Laplaza R, Contreras-Garcia J, Fuster F, Volatron F. The 'inverted Bonds' revisited. Analysis of 'in silico' models and of [1.1.1]Propellane using Orbital Forces. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31692122 DOI: 10.1002/Chem.201904910 |
0.312 |
|
| 2019 |
Martín Pendás A, Contreras-García J, Pinilla F, Mella JD, Cardenas C, Muñoz F. A chemical theory of topological insulators. Chemical Communications (Cambridge, England). PMID 31555782 DOI: 10.1039/C9Cc04054D |
0.401 |
|
| 2019 |
Arias-Olivares D, Wieduwilt EK, Contreras-García J, Genoni A. NCI-ELMO: A New Method To Quickly and Accurately Detect Noncovalent Interactions in Biosystems. Journal of Chemical Theory and Computation. PMID 31553606 DOI: 10.1021/Acs.Jctc.9B00658 |
0.492 |
|
| 2019 |
Laplaza R, Polo V, Contreras-García J. Localizing electron density errors in density functional theory. Physical Chemistry Chemical Physics : Pccp. PMID 31517339 DOI: 10.1039/C9Cp02806D |
0.383 |
|
| 2019 |
Andrés J, Ayers PW, Boto RA, Carbó-Dorca R, Chermette H, Cioslowski J, Contreras-García J, Cooper DL, Frenking G, Gatti C, Heidar-Zadeh F, Joubert L, Martín Pendás Á, Matito E, Mayer I, et al. Nine questions on energy decomposition analysis. Journal of Computational Chemistry. PMID 31251411 DOI: 10.1002/Jcc.26003 |
0.748 |
|
| 2019 |
Novoa T, Contreras-García J, Fuentealba P, Cárdenas C. The Pauli principle and the confinement of electron pairs in a double well: Aspects of electronic bonding under pressure. The Journal of Chemical Physics. 150: 204304. PMID 31153164 DOI: 10.1063/1.5089963 |
0.405 |
|
| 2019 |
Zhou Z, Calatayud M, Contreras-García J, Li L, Tong HHY, Zheng Y. X-ray Diffraction and Theoretical Calculation-Supported Formation of Polymorphic Cocrystals Discovered through Thermal Methods: A Case Study. Journal of Pharmaceutical Sciences. PMID 31145922 DOI: 10.1016/J.Xphs.2019.05.019 |
0.377 |
|
| 2019 |
Munárriz J, Laplaza R, Martín Pendás A, Contreras-García J. A first step towards quantum energy potentials of electron pairs. Physical Chemistry Chemical Physics : Pccp. PMID 30747171 DOI: 10.1039/C8Cp07509C |
0.475 |
|
| 2019 |
Peccati F, Laplaza R, Contreras-García J. Overcoming Distrust in Solid State Simulations: Adding Error Bars to Computational Data Journal of Physical Chemistry C. 123: 4767-4772. DOI: 10.1021/Acs.Jpcc.8B10510 |
0.318 |
|
| 2019 |
Peccati F, Desmedt E, Contreras-García J. A regression approach to accurate interaction energies using topological descriptors Computational and Theoretical Chemistry. 1159: 23-26. DOI: 10.1016/J.Comptc.2019.05.002 |
0.472 |
|
| 2018 |
Contreras-García J, Yang W. Perspective: Chemical Information Encoded in Electron Density. Wu Li Hua Xue Xue Bao = Acta Physico-Chimica Sinica. 34: 567-580. PMID 31080323 DOI: 10.3866/PKU.WHXB201801261 |
0.568 |
|
| 2018 |
Casademont-Reig I, Woller T, Contreras-García J, Alonso M, Torrent-Sucarrat M, Matito E. New electron delocalization tools to describe the aromaticity in porphyrinoids. Physical Chemistry Chemical Physics : Pccp. PMID 29323373 DOI: 10.1039/C7Cp07581B |
0.354 |
|
| 2018 |
Munárriz J, Rabuffetti FA, Contreras-García J. Building Fluorinated Hybrid Crystals: Understanding the Role of Noncovalent Interactions Crystal Growth & Design. 18: 6901-6910. DOI: 10.1021/Acs.Cgd.8B01105 |
0.504 |
|
| 2017 |
Calbo J, Aragó J, Boto RA, Sanchez-Marin J, Ortí E, Contreras-Garcia J. Bending Carbon Nanoforms for Supramolecular Recognition: A Topological Study on Hemifullerene-Based Aggregates. The Journal of Physical Chemistry. A. PMID 29266944 DOI: 10.1021/Acs.Jpca.7B11746 |
0.814 |
|
| 2017 |
Lefebvre C, Khartabil H, Boisson JC, Contreras-Garcia J, Piquemal JP, Hénon E. Independent Gradient Model: a new approach for probing strong and weak interactions in molecules from wave function calculations. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 29250908 DOI: 10.1002/Cphc.201701325 |
0.642 |
|
| 2017 |
Riffet V, Labet V, Contreras-García J. A topological study of chemical bonds under pressure: solid hydrogen as a model case. Physical Chemistry Chemical Physics : Pccp. PMID 28944390 DOI: 10.1039/C7Cp04349J |
0.38 |
|
| 2017 |
Contreras-García J, Cardenas C. On Understanding the Chemical Origin of Band Gaps Journal of Molecular Modeling. 23: 271. PMID 28842804 DOI: 10.1007/S00894-017-3434-5 |
0.456 |
|
| 2017 |
Lefebvre C, Rubez G, Khartabil H, Boisson JC, Contreras-García J, Hénon E. Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density. Physical Chemistry Chemical Physics : Pccp. PMID 28664951 DOI: 10.1039/C7Cp02110K |
0.521 |
|
| 2017 |
Contreras-Garcia J, Calatayud M. Using electron density to understand co-crystal structures Acta Crystallographica Section a Foundations and Advances. 73: C798-C798. DOI: 10.1107/S2053273317087769 |
0.331 |
|
| 2017 |
Boto RA, Piquemal J, Contreras-García J. Revealing strong interactions with the reduced density gradient: a benchmark for covalent, ionic and charge-shift bonds Theoretical Chemistry Accounts. 136. DOI: 10.1007/S00214-017-2169-9 |
0.823 |
|
| 2016 |
Izquierdo-Ruiz F, Otero-de-la-Roza A, Contreras-García J, Prieto-Ballesteros O, Recio JM. Effects of the CO₂ Guest Molecule on the sI Clathrate Hydrate Structure. Materials (Basel, Switzerland). 9. PMID 28773898 DOI: 10.3390/Ma9090777 |
0.377 |
|
| 2016 |
Woller T, Contreras-García J, Geerlings P, Proft FD, Alonso M. Understanding the molecular switching properties of octaphyrins Physical Chemistry Chemical Physics. 18: 11885-11900. PMID 26924378 DOI: 10.1039/C5Cp07413D |
0.356 |
|
| 2016 |
Woller T, Ramos-Berdullas N, Mandado M, Alonso M, Proft Fd, Contreras-García J. Understanding conductivity in molecular switches: a real space approach in octaphyrins. Physical Chemistry Chemical Physics. 18: 11829-11838. PMID 26864204 DOI: 10.1039/C5Cp07411H |
0.375 |
|
| 2016 |
Gonzalez J, Baños I, León I, Contreras-Garcia J, Cocinero EJ, Lesarri A, Fernandez JA, Millán J. Unravelling Protein-DNA Interactions at Molecular Level: A DFT and NCI Study. Journal of Chemical Theory and Computation. PMID 26765058 DOI: 10.1021/Acs.Jctc.5B00330 |
0.468 |
|
| 2016 |
Contreras-García J, Boto RA, Izquierdo-Ruiz F, Reva I, Woller T, Alonso M. A benchmark for the non-covalent interaction (NCI) index or… is it really all in the geometry? Theoretical Chemistry Accounts. 135. DOI: 10.1007/S00214-016-1977-7 |
0.812 |
|
| 2015 |
Vargas-Caamal A, Pan S, Ortiz-Chi F, Cabellos JL, Boto RA, Contreras-Garcia J, Restrepo A, Chattaraj PK, Merino G. How strong are the metallocene-metallocene interactions? Cases of ferrocene, ruthenocene, and osmocene. Physical Chemistry Chemical Physics : Pccp. PMID 26618629 DOI: 10.1039/C5Cp05956A |
0.783 |
|
| 2015 |
Contreras-García J, Marqués M, Menéndez JM, Recio JM. From ELF to compressibility in solids. International Journal of Molecular Sciences. 16: 8151-67. PMID 25872139 DOI: 10.3390/Ijms16048151 |
0.425 |
|
| 2015 |
Lepetit C, Poater J, Alikhani ME, Silvi B, Canac Y, Contreras-García J, Solà M, Chauvin R. The missing entry in the agostic-anagostic series: Rh(I)-η(1)-C interactions in P(CH)P pincer complexes. Inorganic Chemistry. 54: 2960-9. PMID 25714128 DOI: 10.1021/Acs.Inorgchem.5B00069 |
0.344 |
|
| 2015 |
Izquierdo-Ruiz F, Otero-De-La-Roza A, Contreras-Garciá J, Menéndez JM, Prieto-Ballesteros O, Recio JM. Guest-host interactions in gas clathrate hydrates under pressure High Pressure Research. 35: 49-56. DOI: 10.1080/08957959.2014.996560 |
0.354 |
|
| 2015 |
Boto RA, Contreras-García J, Tierny J, Piquemal JP. Interpretation of the reduced density gradient Molecular Physics. 1-9. DOI: 10.1080/00268976.2015.1123777 |
0.797 |
|
| 2015 |
Boto RA, Contreras-García J, Calatayud M. The role of dispersion forces in metal-supported self-assembled monolayers Computational and Theoretical Chemistry. 1053: 322-327. DOI: 10.1016/J.Comptc.2014.10.015 |
0.79 |
|
| 2015 |
Ayers PL, Boyd RJ, Bultinck P, Caffarel M, Carbó-Dorca R, Causá M, Cioslowski J, Contreras-Garcia J, Cooper DL, Coppens P, Gatti C, Grabowsky S, Lazzeretti P, Macchi P, Martín Pendás Á, et al. Six questions on topology in theoretical chemistry Computational and Theoretical Chemistry. 1053: 2-16. DOI: 10.1016/J.Comptc.2014.09.028 |
0.526 |
|
| 2014 |
Gunther D, Boto RA, Contreras-Garcia J, Piquemal JP, Tierny J. Characterizing Molecular Interactions in Chemical Systems. Ieee Transactions On Visualization and Computer Graphics. 20: 2476-85. PMID 26356961 DOI: 10.1109/Tvcg.2014.2346403 |
0.826 |
|
| 2014 |
Cerón-Carrasco JP, Cerezo J, Requena A, Zuñiga J, Contreras-García J, Chavan S, Manrubia-Cobo M, Pérez-Sánchez H. Labelling Herceptin with a novel oxaliplatin derivative: a computational approach towards the selective drug delivery. Journal of Molecular Modeling. 20: 2401. PMID 25149438 DOI: 10.1007/S00894-014-2401-7 |
0.305 |
|
| 2014 |
Chaudret R, Contreras-Garcia J, Delcey M, Parisel O, Yang W, Piquemal JP. Revisiting H2O Nucleation around Au(+) and Hg(2+): The Peculiar "Pseudo-Soft" Character of the Gold Cation. Journal of Chemical Theory and Computation. 10: 1900-1909. PMID 24860276 DOI: 10.1021/Ct4006135 |
0.793 |
|
| 2014 |
Andrés J, Berski S, Contreras-García J, González-Navarrete P. Following the molecular mechanism for the NH3 + LiH → LiNH2 + H2 chemical reaction: a study based on the joint use of the quantum theory of atoms in molecules (QTAIM) and noncovalent interaction (NCI) index. The Journal of Physical Chemistry. A. 118: 1663-72. PMID 24499301 DOI: 10.1021/Jp4111376 |
0.5 |
|
| 2014 |
Chaudret R, de Courcy B, Contreras-García J, Gloaguen E, Zehnacker-Rentien A, Mons M, Piquemal JP. Unraveling non-covalent interactions within flexible biomolecules: from electron density topology to gas phase spectroscopy. Physical Chemistry Chemical Physics : Pccp. 16: 9876-91. PMID 24419903 DOI: 10.1039/C3Cp52774C |
0.812 |
|
| 2014 |
Günther D, Boto RA, Contreras-Garcia J, Piquemal JP, Tierny J. Characterizing molecular interactions in chemical systems Ieee Transactions On Visualization and Computer Graphics. 20: 2476-2485. DOI: 10.1109/TVCG.2014.2346403 |
0.566 |
|
| 2014 |
Armstrong A, Boto RA, Dingwall P, Contreras-García J, Harvey MJ, Mason NJ, Rzepa HS. The Houk-List transition states for organocatalytic mechanisms revisited Chemical Science. 5: 2057-2071. DOI: 10.1039/C3Sc53416B |
0.795 |
|
| 2013 |
Lane JR, Contreras-García J, Piquemal JP, Miller BJ, Kjaergaard HG. Are Bond Critical Points Really Critical for Hydrogen Bonding? Journal of Chemical Theory and Computation. 9: 3263-6. PMID 26584086 DOI: 10.1021/Ct400420R |
0.626 |
|
| 2013 |
Virshup AM, Contreras-García J, Wipf P, Yang W, Beratan DN. Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds. Journal of the American Chemical Society. 135: 7296-303. PMID 23548177 DOI: 10.1021/Ja401184G |
0.496 |
|
| 2012 |
Johnson ER, Contreras-García J, Yang W. Density-Functional Errors in Alkanes: A Real-Space Perspective. Journal of Chemical Theory and Computation. 8: 2676-81. PMID 26592113 DOI: 10.1021/Ct300412G |
0.699 |
|
| 2012 |
Zheng X, Liu M, Johnson ER, Contreras-García J, Yang W. Delocalization error of density-functional approximations: a distinct manifestation in hydrogen molecular chains. The Journal of Chemical Physics. 137: 214106. PMID 23231216 DOI: 10.1063/1.4768673 |
0.651 |
|
| 2012 |
Saleh G, Gatti C, Lo Presti L, Contreras-García J. Revealing non-covalent interactions in molecular crystals through their experimental electron densities. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 15523-36. PMID 23038653 DOI: 10.1002/chem.201201290 |
0.347 |
|
| 2012 |
Otero-de-la-Roza A, Johnson ER, Contreras-García J. Revealing non-covalent interactions in solids: NCI plots revisited. Physical Chemistry Chemical Physics : Pccp. 14: 12165-72. PMID 22850808 DOI: 10.1039/C2Cp41395G |
0.659 |
|
| 2012 |
Arbour JL, Rzepa HS, Contreras-García J, Adrio LA, Barreiro EM, Hii KK. Silver-catalysed enantioselective addition of O-H and N-H bonds to allenes: a new model for stereoselectivity based on noncovalent interactions. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 11317-24. PMID 22829204 DOI: 10.1002/Chem.201200547 |
0.461 |
|
| 2012 |
Ouahrani T, Menendez JM, Marqués M, Contreras-García J, Baonza VG, Recio JM. Local pressures in Zn chalcogenide polymorphs Epl. 98: 56002. DOI: 10.1209/0295-5075/98/56002 |
0.32 |
|
| 2012 |
Contreras-García J, Calatayud M, Piquemal JP, Recio JM. Ionic interactions: Comparative topological approach Computational and Theoretical Chemistry. 998: 193-201. DOI: 10.1016/J.Comptc.2012.07.043 |
0.671 |
|
| 2011 |
Johnson ER, Contreras-García J. Communication: a density functional with accurate fractional-charge and fractional-spin behaviour for s-electrons. The Journal of Chemical Physics. 135: 081103. PMID 21895149 DOI: 10.1063/1.3630117 |
0.612 |
|
| 2011 |
Contreras-García J, Yang W, Johnson ER. Analysis of hydrogen-bond interaction potentials from the electron density: integration of noncovalent interaction regions. The Journal of Physical Chemistry. A. 115: 12983-90. PMID 21786796 DOI: 10.1021/Jp204278K |
0.728 |
|
| 2011 |
Contreras-García J, Johnson ER, Keinan S, Chaudret R, Piquemal JP, Beratan DN, Yang W. NCIPLOT: a program for plotting non-covalent interaction regions. Journal of Chemical Theory and Computation. 7: 625-632. PMID 21516178 DOI: 10.1021/Ct100641A |
0.819 |
|
| 2011 |
Saleh G, Gatti C, Presti LL, Contreras-Garcia J. Non-covalent interactions descriptor using experimental electron densities Acta Crystallographica Section A. 67. DOI: 10.1107/S0108767311088702 |
0.495 |
|
| 2011 |
Marqués M, Santoro M, Guillaume CL, Gorelli FA, Contreras-García J, Howie RT, Goncharov AF, Gregoryanz E. Optical and electronic properties of dense sodium Physical Review B. 83: 184106. DOI: 10.1103/Physrevb.83.184106 |
0.331 |
|
| 2011 |
Contreras-García J, Recio JM. On Bonding in Ionic Crystals Journal of Physical Chemistry C. 115: 257-263. DOI: 10.1021/Jp106370Z |
0.426 |
|
| 2011 |
Contreras-García J, Recio JM. Electron delocalization and bond formation under the ELF framework Theoretical Chemistry Accounts. 128: 411-418. DOI: 10.1007/S00214-010-0828-1 |
0.437 |
|
| 2010 |
Hammill JT, Contreras-García J, Virshup AM, Beratan D, Yang W, Wipf P. Synthesis and chemical diversity analysis of bicyclo[3.3.1]non-3-en-2-ones. Tetrahedron. 66: 5852-5862. PMID 20798897 DOI: 10.1016/J.Tet.2010.04.112 |
0.474 |
|
| 2010 |
Johnson ER, Keinan S, Mori-Sánchez P, Contreras-García J, Cohen AJ, Yang W. Revealing noncovalent interactions. Journal of the American Chemical Society. 132: 6498-506. PMID 20394428 DOI: 10.1021/Ja100936W |
0.75 |
|
| 2009 |
Contreras-García J, Mori-Sánchez P, Silvi B, Recio JM. A Quantum Chemical Interpretation of Compressibility in Solids. Journal of Chemical Theory and Computation. 5: 2108-14. PMID 26613151 DOI: 10.1021/Ct900224W |
0.434 |
|
| 2009 |
Contreras-García J, Pendás AM, Recio JM, Silvi B. Computation of Local and Global Properties of the Electron Localization Function Topology in Crystals. Journal of Chemical Theory and Computation. 5: 164-73. PMID 26609830 DOI: 10.1021/Ct800420N |
0.351 |
|
| 2009 |
Marqués M, Ackland GJ, Lundegaard LF, Stinton G, Nelmes RJ, McMahon MI, Contreras-García J. Potassium under pressure: a pseudobinary ionic compound. Physical Review Letters. 103: 115501. PMID 19792381 DOI: 10.1103/Physrevlett.103.115501 |
0.337 |
|
| 2009 |
Contreras-García J, Martín-Pendás A, Silvi B, Recio JM. Bases for Understanding Polymerization under Pressure: The Practical Case of CO2. The Journal of Physical Chemistry. B. 113: 1068-73. PMID 19127987 DOI: 10.1021/Jp8069546 |
0.449 |
|
| 2009 |
Flórez M, Contreras-García J, Recio JM, Marqués M. Quantum-mechanical calculations of zircon to scheelite transition pathways in ZrSiO 4 Physical Review B. 79: 104101. DOI: 10.1103/Physrevb.79.104101 |
0.349 |
|
| 2009 |
Contreras-García J, Recio JM. From molecular to polymeric CO2: bonding transformations under pressure High Pressure Research. 29: 113-117. DOI: 10.1080/08957950802510083 |
0.381 |
|
| 2009 |
Gracia L, Contreras-García J, Beltrán A, Recio JM. Bonding changes across the α-cristobalite→stishovite transition path in silica High Pressure Research. 29: 93-96. DOI: 10.1080/08957950802417164 |
0.393 |
|
| 2009 |
Waskowska A, Gerward L, Olsen JS, Marqués M, Contreras-García J, Recio JM. The bulk modulus of cubic spinel selenides: an experimental and theoretical study High Pressure Research. 29: 72-75. DOI: 10.1080/08957950802338642 |
0.3 |
|
| 2008 |
Contreras-García J, Pendás AM, Recio JM. How electron localization function quantifies and pictures chemical changes in a solid: the B3-->B1 pressure induced phase transition in BeO. The Journal of Physical Chemistry. B. 112: 9787-94. PMID 18636766 DOI: 10.1021/Jp800685U |
0.418 |
|
| 2008 |
Marques M, Ackland G, Lundegaard LF, Falconi S, Hejny C, McMahon M, Contreras-Garcia J, Hanfland M. Origin of incommensurate modulations in the high-pressure phosphorus IV phase Physical Review B. 78: 54120. DOI: 10.1103/Physrevb.78.054120 |
0.322 |
|
| 2008 |
Contreras-García J, Pendás AM, Silvi B, Manuel Recio J. Useful applications of the electron localization function in high-pressure crystal chemistry Journal of Physics and Chemistry of Solids. 69: 2204-2207. DOI: 10.1016/J.Jpcs.2008.03.028 |
0.407 |
|
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