| Year |
Citation |
Score |
| 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 |
0.65 |
|
| 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 |
0.618 |
|
| 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 |
0.703 |
|
| 2020 |
Laplaza R, Peccati F, Boto RA, Quan C, Carbone A, Piquemal J, Maday Y, Contreras‐García J. NCIPLOT and the analysis of noncovalent interactions using the reduced density gradient Wiley Interdisciplinary Reviews: Computational Molecular Science. DOI: 10.1002/Wcms.1497 |
0.635 |
|
| 2019 |
Ortiz R, Boto RÁ, García-Martínez N, Sancho-García JC, Melle-Franco M, Fernández-Rossier J. Exchange rules for diradical π-conjugated hydrocarbons. Nano Letters. PMID 31365266 DOI: 10.1021/Acs.Nanolett.9B01773 |
0.603 |
|
| 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 |
0.561 |
|
| 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 |
0.702 |
|
| 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 |
0.73 |
|
| 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 |
0.699 |
|
| 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 |
0.648 |
|
| 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 |
0.685 |
|
| 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 |
0.656 |
|
| 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 |
0.731 |
|
| 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 |
0.673 |
|
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