| Year |
Citation |
Score |
| 2024 |
García-Argote W, Ruiz L, Inostroza D, Cardenas C, Yañez O, Tiznado W. Introducing KICK-MEP: exploring potential energy surfaces in systems with significant non-covalent interactions. Journal of Molecular Modeling. 30: 369. PMID 39377846 DOI: 10.1007/s00894-024-06155-0 |
0.587 |
|
| 2024 |
Leyva-Parra L, Casademont-Reig I, Pino-Rios R, Ruiz L, Alonso M, Tiznado W. New Perspectives on Delocalization Pathways in Aromatic Molecular Chameleons. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. e202400271. PMID 38530286 DOI: 10.1002/cphc.202400271 |
0.694 |
|
| 2023 |
Inostroza D, Leyva-Parra L, Pino-Rios R, Solar-Encinas J, Vásquez-Espinal A, Pan S, Merino G, Yañez O, Tiznado W. Li E Li : Tetrel Sandwich Complexes with 10-π-Electrons. Angewandte Chemie (International Ed. in English). e202317848. PMID 38087836 DOI: 10.1002/anie.202317848 |
0.681 |
|
| 2023 |
Leyva-Parra L, Pino-Rios R, Inostroza D, Solà M, Alonso M, Tiznado W. Aromaticity and Magnetic Behavior in Benzenoids: Unraveling Ring Current Combinations. Chemistry (Weinheim An Der Bergstrasse, Germany). e202302415. PMID 37955853 DOI: 10.1002/chem.202302415 |
0.662 |
|
| 2023 |
Wang MH, Kalita AJ, Orozco-Ic M, Yan GR, Chen C, Yan B, Castillo-Toraya G, Tiznado W, Guha AK, Pan S, Merino G, Cui ZH. Planar pentacoordinate s-block metals. Chemical Science. 14: 8785-8791. PMID 37621437 DOI: 10.1039/d2sc05939h |
0.332 |
|
| 2022 |
Solar-Encinas J, Leyva-Parra L, Yáñez O, Inostroza D, Barrios-Llacuachaqui JR, Vásquez-Espinal A, Orellana W, Tiznado W. Bowl-shaped CuB12- Cluster. A viable Global Minimum with Twofold Aromaticity. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 35785508 DOI: 10.1002/cphc.202200366 |
0.308 |
|
| 2021 |
Orellana W, Pino-Rios R, Yañez O, Vásquez-Espinal A, Peccati F, Contreras-García J, Cardenas C, Tiznado W. Cluster Assembled Silicon-Lithium Nanostructures: A Nanowire Confined Inside a Carbon Nanotube. Frontiers in Chemistry. 9: 767421. PMID 34869208 DOI: 10.3389/fchem.2021.767421 |
0.753 |
|
| 2021 |
Yañez O, Báez-Grez R, Inostroza D, Pino-Rios R, Rabanal-León WA, Contreras-García J, Cardenas C, Tiznado W. Kick-Fukui: A Fukui Function-Guided Method for Molecular Structure Prediction. Journal of Chemical Information and Modeling. PMID 34378935 DOI: 10.1021/acs.jcim.1c00605 |
0.804 |
|
| 2021 |
Tiznado W, Pino-Rios R, Inostroza D. Neither too Classic nor too exotic: One-electron Na·B Bond in NaBH3- Cluster. Angewandte Chemie (International Ed. in English). PMID 33876517 DOI: 10.1002/anie.202101403 |
0.694 |
|
| 2021 |
Tiznado W, Manrique-de-la-Cuba MF, Leiva-Parra L, Inostroza D, Gomez B, Vásquez-Espinal A, Garza J, Yañez O. Li8Si8, Li10Si9, and Li12Si10: Assemblies of Lithium-silicon Aromatic Units. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 33779015 DOI: 10.1002/cphc.202001051 |
0.301 |
|
| 2020 |
Pino-Rios R, Vásquez-Espinal A, Yañez O, Tiznado W. Searching for double σ- and π-aromaticity in borazine derivatives. Rsc Advances. 10: 29705-29711. PMID 35518239 DOI: 10.1039/d0ra05939k |
0.707 |
|
| 2020 |
Pino-Rios R, Vásquez-Espinal A, Alvarez-Thon L, Tiznado W. Relativistic effects on the aromaticity of EMH (E = C-Pb; M = N-Bi) benzene analogues. Physical Chemistry Chemical Physics : Pccp. PMID 33030178 DOI: 10.1039/d0cp04446f |
0.666 |
|
| 2020 |
Pino-Rios R, Cárdenas-Jirón G, Tiznado W. Local and macrocyclic (anti)aromaticity of porphyrinoids revealed by the topology of the induced magnetic field. Physical Chemistry Chemical Physics : Pccp. 22: 21267-21274. PMID 32935691 DOI: 10.1039/D0Cp03272G |
0.784 |
|
| 2020 |
Pino-Rios R, Vásquez-Espinal A, Yañez O, Tiznado W. Searching for double σ- and π-aromaticity in borazine derivatives Rsc Advances. 10: 29705-29711. DOI: 10.1039/D0Ra05939K |
0.679 |
|
| 2020 |
Yañez O, Inostroza D, Usuga-Acevedo B, Vásquez-Espinal A, Pino-Rios R, Tabilo-Sepulveda M, Garza J, Barroso J, Merino G, Tiznado W. Evaluation of restricted probabilistic cellular automata on the exploration of the potential energy surface of Be6B11− Theoretical Chemistry Accounts. 139. DOI: 10.1007/S00214-020-2548-5 |
0.686 |
|
| 2019 |
Yañez O, Vásquez-Espinal A, Pino-Rios R, Ferraro F, Pan S, Osorio E, Merino G, Tiznado W. Reply to the 'Comment on "Exploiting electronic strategies to stabilize a planar tetracoordinate carbon in cyclic aromatic hydrocarbons"' by V. S. Thimmakondu, , 2019, DOI: 10.1039/c9cc04639a. Chemical Communications (Cambridge, England). 55: 12721-12722. PMID 34661587 DOI: 10.1039/c9cc06470b |
0.671 |
|
| 2019 |
Báez-Grez R, Inostroza D, García V, Vásquez-Espinal A, Donald KJ, Tiznado W. Aromatic ouroboroi: heterocycles involving a σ-donor-acceptor bond and 4n + 2 π-electrons. Physical Chemistry Chemical Physics : Pccp. PMID 31829390 DOI: 10.1039/C9Cp05071J |
0.386 |
|
| 2019 |
Vásquez-Espinal A, Yañez O, Osorio E, Areche C, García-Beltrán O, Ruiz LM, Cassels BK, Tiznado W. Theoretical Study of the Antioxidant Activity of Quercetin Oxidation Products. Frontiers in Chemistry. 7: 818. PMID 31828060 DOI: 10.3389/Fchem.2019.00818 |
0.325 |
|
| 2019 |
Yañez O, Báez-Grez R, Garza J, Pan S, Barroso J, Vásquez-Espinal A, Merino G, Tiznado W. Embedding a Planar Hypercoordinate Carbon Atom into a [4n+2] π-System. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 31721418 DOI: 10.1002/Cphc.201900998 |
0.376 |
|
| 2019 |
Pino-Rios R, Inostroza D, Cardenas-Jiron GI, Tiznado W. Orbital-Weighted Dual Descriptor for the Study of Local Reactivity of Systems with (Quasi-) Degenerate States. The Journal of Physical Chemistry. A. PMID 31710492 DOI: 10.1021/Acs.Jpca.9B07516 |
0.773 |
|
| 2019 |
Yañez O, Vásquez-Espinal A, Pino-Rios R, Ferraro F, Pan S, Osorio E, Merino G, Tiznado W. Reply to the 'Comment on "Exploiting electronic strategies to stabilize a planar tetracoordinate carbon in cyclic aromatic hydrocarbons"' by V. S. Thimmakondu, Chem. Commun., 2019, DOI. Chemical Communications (Cambridge, England). PMID 31589237 DOI: 10.1039/C9Cc06470B |
0.684 |
|
| 2019 |
Báez-Grez R, Garza J, Vásquez-Espinal A, Osorio E, Rabanal-León WA, Yañez O, Tiznado W. Exploring the Potential Energy Surface of Trimetallic Deltahedral Zintl Ions: Lowest-Energy [SnGeBi] and [(SnGeBi)] Structures. Inorganic Chemistry. PMID 31287671 DOI: 10.1021/Acs.Inorgchem.9B01206 |
0.783 |
|
| 2019 |
Pino-Rios R, Cárdenas-Jirón G, Ruiz L, Tiznado W. Interpreting Aromaticity and Antiaromaticity through Bifurcation Analysis of the Induced Magnetic Field. Chemistryopen. 8: 321-326. PMID 30906684 DOI: 10.1002/Open.201800238 |
0.769 |
|
| 2019 |
Yañez O, Vásquez-Espinal A, Báez-Grez R, Rabanal-León WA, Osorio E, Ruiz L, Tiznado W. Carbon rings decorated with group 14 elements: new aromatic clusters containing planar tetracoordinate carbon New Journal of Chemistry. 43: 6781-6785. DOI: 10.1039/C9Nj01022J |
0.364 |
|
| 2019 |
García J, Hernández-Esparza R, Vargas R, Tiznado W, Garza J. Formation of small clusters of NaCl dihydrate in the gas phase New Journal of Chemistry. 43: 4342-4348. DOI: 10.1039/C8Nj06315J |
0.306 |
|
| 2018 |
Yañez O, García V, Garza J, Orellana W, Vásquez-Espinal A, Tiznado W. (Li₆Si₅)₂-₅: The Smallest Cluster-Assembled Materials based on Aromatic Si₅⁶- Rings. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30561850 DOI: 10.1002/Chem.201805677 |
0.406 |
|
| 2018 |
Yañez O, Báez-Grez R, Inostroza D, Rabanal-León WA, Pino-Rios R, Garza J, Tiznado W. AUTOMATON: a program that combines a probabilistic cellular automata and a genetic algorithm for global minimum search of clusters and molecules. Journal of Chemical Theory and Computation. PMID 30543750 DOI: 10.1021/Acs.Jctc.8B00772 |
0.799 |
|
| 2018 |
Vásquez-Espinal A, Palacio-Rodríguez K, Ravell E, Orozco-Ic M, Barroso J, Pan S, Tiznado W, Merino G. E M (E=C-Pb, M=Li-Cs): A Source of Viable Star-Shaped Clusters. Chemistry, An Asian Journal. PMID 29920953 DOI: 10.1002/Asia.201800654 |
0.36 |
|
| 2018 |
Báez-Grez R, Ruiz L, Pino-Rios R, Tiznado W. Which NICS method is most consistent with ring current analysis? Assessment in simple monocycles Rsc Advances. 8: 13446-13453. DOI: 10.1039/C8Ra01263F |
0.668 |
|
| 2018 |
Rabanal-León WA, Tiznado W, Osorio E, Ferraro F. Exploring the potential energy surface of small lead clusters using the gradient embedded genetic algorithm and an adequate treatment of relativistic effects Rsc Advances. 8: 145-152. DOI: 10.1039/C7Ra11449D |
0.373 |
|
| 2018 |
Alcoba DR, Oña OB, Torre A, Lain L, Tiznado W. An orbital localization criterion based on the topological analysis of the electron localization function at correlated level International Journal of Quantum Chemistry. 118: e25588. DOI: 10.1002/Qua.25588 |
0.343 |
|
| 2018 |
Báez-Grez R, Rabanal-León WA, Alvarez-Thon L, Ruiz L, Tiznado W, Pino-Rios R. Aromaticity in heterocyclic analogues of benzene: Dissected NICS and current density analysis Journal of Physical Organic Chemistry. 32: e3823. DOI: 10.1002/Poc.3823 |
0.708 |
|
| 2018 |
Rabanal-León WA, Vásquez-Espinal A, Yañez O, Pino-Rios R, Arratia-Pérez R, Alvarez-Thon L, Torres-Vega JJ, Tiznado W. Cover Feature: Aromaticity of [M3
(µ-X)3
X6
]0/2-
(M = Re and Tc, X = Cl, Br, I) Clusters Confirmed by Ring Current Analysis and Induced Magnetic Field (Eur. J. Inorg. Chem. 28/2018) European Journal of Inorganic Chemistry. 2018: 3282-3282. DOI: 10.1002/Ejic.201800763 |
0.774 |
|
| 2018 |
Rabanal-León WA, Vásquez-Espinal A, Yañez O, Pino-Rios R, Arratia-Pérez R, Alvarez-Thon L, Torres-Vega JJ, Tiznado W. Aromaticity of [M3(µ-X)3X6]0/2-(M = Re and Tc, X = Cl, Br, I) Clusters Confirmed by Ring Current Analysis and Induced Magnetic Field European Journal of Inorganic Chemistry. 2018: 3312-3319. DOI: 10.1002/Ejic.201800339 |
0.773 |
|
| 2017 |
Yañez O, Vásquez-Espinal A, Pino-Rios R, Ferraro F, Pan S, Osorio E, Merino G, Tiznado W. Exploiting electronic strategies to stabilize a planar tetracoordinate carbon in cyclic aromatic hydrocarbons. Chemical Communications (Cambridge, England). PMID 29072722 DOI: 10.1039/C7Cc06248F |
0.688 |
|
| 2017 |
Yañez O, Vásquez-Espinal A, Inostroza D, Ruiz L, Pino-Rios R, Tiznado W. A Fukui function-guided genetic algorithm. Assessment on structural prediction of Sin (n = 12-20) clusters. Journal of Computational Chemistry. PMID 28436608 DOI: 10.1002/Jcc.24810 |
0.72 |
|
| 2017 |
Pino-Rios R, Yañez O, Inostroza D, Ruiz L, Cardenas C, Fuentealba P, Tiznado W. Proposal of a simple and effective local reactivity descriptor through a topological analysis of an orbital-weighted fukui function. Journal of Computational Chemistry. 38: 481-488. PMID 28128851 DOI: 10.1002/Jcc.24699 |
0.78 |
|
| 2017 |
Giraldo C, Ferraro F, Hadad CZ, Ruiz L, Tiznado W, Osorio E. Correction: Theoretical design of stable hydride clusters: isoelectronic transformation in the EnAl4−nH7+n− series Rsc Advances. 7: 19060-19060. DOI: 10.1039/C7Ra90046E |
0.325 |
|
| 2017 |
Giraldo C, Ferraro F, Hadad CZ, Riuz L, Tiznado W, Osorio E. Theoretical design of stable hydride clusters: isoelectronic transformation in the EnAl4−nH7+n− series Rsc Advances. 7: 16069-16077. DOI: 10.1039/C7Ra01422H |
0.368 |
|
| 2016 |
Mondal S, Cabellos JL, Pan S, Osorio E, Torres-Vega JJ, Tiznado W, Restrepo A, Merino G. 10-π-Electron arenes à la carte: structure and bonding of the [E-(CnHn)-E](n-6) (E = Ca, Sr, Ba; n = 6-8) complexes. Physical Chemistry Chemical Physics : Pccp. PMID 26936126 DOI: 10.1039/C6Cp00671J |
0.749 |
|
| 2016 |
Vásquez-Espinal A, Torres-Vega JJ, Alvarez-Thon L, Fuentealba P, Islas R, Tiznado W. Boron avoids cycloalkane-like structures in the LinBnH2n series New Journal of Chemistry. 40: 2007-2013. DOI: 10.1039/C5Nj02051D |
0.783 |
|
| 2016 |
Vásquez-Espinal A, Pino-Rios R, Fuentealba P, Orellana W, Tiznado W. Insights into the hydrogen dissociation mechanism on lithium edge-decorated carbon rings and graphene nanoribbon International Journal of Hydrogen Energy. 41: 5709-5715. DOI: 10.1016/J.Ijhydene.2016.02.018 |
0.788 |
|
| 2016 |
Fuenzalida-Valdivia I, Beltran MJ, Ferraro F, Vasquez-Espinal A, Tiznado W, Osorio E. Isoelectronic substitution from Si5 2- to Al5H5 2-: Exploration of the series Si5-n(AlH)n 2- (n = 0-5) Chemical Physics Letters. 647: 150-156. DOI: 10.1016/J.Cplett.2016.01.062 |
0.334 |
|
| 2016 |
Osorio E, Ferraro F, Hadad CZ, Rabanal-León WA, Tiznado W. Insights on the structural and electronic properties of ScC n+ , YC n+ , LaC n+ (n = 3–6) systems Theoretical Chemistry Accounts. 135. DOI: 10.1007/S00214-016-1976-8 |
0.41 |
|
| 2015 |
Vásquez-Espinal A, Pino-Rios R, Alvarez-Thon L, Rabanal-León WA, Torres-Vega JJ, Arratia-Perez R, Tiznado W. New Insights into Re3(μ-Cl)3Cl6 Aromaticity. Evidence of σ- and π-Diatropicity. The Journal of Physical Chemistry Letters. 6: 4326-30. PMID 26722969 DOI: 10.1021/Acs.Jpclett.5B01816 |
0.776 |
|
| 2015 |
Mena-Ulecia K, Tiznado W, Caballero J. Study of the Differential Activity of Thrombin Inhibitors Using Docking, QSAR, Molecular Dynamics, and MM-GBSA. Plos One. 10: e0142774. PMID 26599107 DOI: 10.1371/Journal.Pone.0142774 |
0.331 |
|
| 2015 |
Torres-Vega JJ, Vásquez-Espinal A, Ruiz L, Fernández-Herrera MA, Alvarez-Thon L, Merino G, Tiznado W. Revisiting Aromaticity and Chemical Bonding of Fluorinated Benzene Derivatives. Chemistryopen. 4: 302-7. PMID 26246992 DOI: 10.1002/Open.201402110 |
0.779 |
|
| 2015 |
Torres-Vega JJ, Vásquez-Espinal A, Beltran MJ, Ruiz L, Islas R, Tiznado W. Li7(BH)5(+): a new thermodynamically favored star-shaped molecule. Physical Chemistry Chemical Physics : Pccp. 17: 19602-6. PMID 26151539 DOI: 10.1039/C5Cp02006A |
0.807 |
|
| 2015 |
Torres-Vega JJ, Vásquez-Espinal A, Beltran MJ, Ruiz L, Islas R, Tiznado W. Li7(BH)5+: a new thermodynamically favored star-shaped molecule Physical Chemistry Chemical Physics. 17: 19602-19606. DOI: 10.1039/c5cp02006a |
0.729 |
|
| 2015 |
Oña OB, Torres-Vega JJ, Torre A, Lain L, Alcoba DR, Vásquez-Espinal A, Tiznado W. Chemical bonding analysis in boron clusters by means of localized orbitals according to the electron localization function topology Theoretical Chemistry Accounts. 134. DOI: 10.1007/S00214-015-1627-5 |
0.805 |
|
| 2015 |
Torres-Vega JJ, Vásquez-Espinal A, Ruiz L, Fernández-Herrera MA, Alvarez-Thon L, Merino G, Tiznado W. Revisiting Aromaticity and Chemical Bonding of Fluorinated Benzene Derivatives Chemistryopen. 4: 302-307. DOI: 10.1002/open.201402110 |
0.75 |
|
| 2014 |
Cervantes-Navarro F, Martínez-Guajardo G, Osorio E, Moreno D, Tiznado W, Islas R, Donald KJ, Merino G. Stop rotating! One substitution halts the B19₁₉⁻ motor. Chemical Communications (Cambridge, England). 50: 10680-2. PMID 25080101 DOI: 10.1039/C4Cc03698K |
0.316 |
|
| 2014 |
Quesada-Romero L, Mena-Ulecia K, Tiznado W, Caballero J. Insights into the interactions between maleimide derivates and GSK3β combining molecular docking and QSAR. Plos One. 9: e102212. PMID 25010341 DOI: 10.1371/Journal.Pone.0102212 |
0.318 |
|
| 2014 |
Torres-Vega JJ, Vásquez-Espinal A, Caballero J, Valenzuela ML, Alvarez-Thon L, Osorio E, Tiznado W. Minimizing the risk of reporting false aromaticity and antiaromaticity in inorganic heterocycles following magnetic criteria Inorganic Chemistry. 53: 3579-3585. PMID 24635149 DOI: 10.1021/Ic4030684 |
0.773 |
|
| 2014 |
Aliaga ME, Tiznado W, Cassels BK, Nuñez MT, Millán D, Pérez EG, García-Beltrán O, Pavez P. Substituent effects on reactivity of 3-cinnamoylcoumarins with thiols of biological interest Rsc Advances. 4: 697-704. DOI: 10.1039/C3Ra44695F |
0.323 |
|
| 2014 |
Karamanis P, Otero N, Pouchan C, Torres JJ, Tiznado W, Avramopoulos A, Papadopoulos MG. Significant nonlinear-optical switching capacity in atomic clusters built from silicon and lithium: A combined ab initio and density functional study Journal of Computational Chemistry. 35: 829-838. DOI: 10.1002/Jcc.23549 |
0.401 |
|
| 2013 |
Oña OB, Alcoba DR, Torre A, Lain L, Torres-Vega JJ, Tiznado W. Orbital localization criterion as a complementary tool in the bonding analysis by means of electron localization function: study of the Si(n)(BH)(5-n)(2-) (n = 0-5) clusters. The Journal of Physical Chemistry. A. 117: 12953-8. PMID 24229348 DOI: 10.1021/Jp4081228 |
0.813 |
|
| 2013 |
Torres JJ, Islas R, Osorio E, Harrison JG, Tiznado W, Merino G. Is Al2Cl6 aromatic? Cautions in superficial NICS interpretation. The Journal of Physical Chemistry. A. 117: 5529-33. PMID 23750748 DOI: 10.1021/Jp403465F |
0.374 |
|
| 2013 |
Contreras M, Osorio E, Ferraro F, Puga G, Donald KJ, Harrison JG, Merino G, Tiznado W. Isomerization energy decomposition analysis for highly ionic systems: case study of starlike E5Li7(+) clusters. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 2305-10. PMID 23292986 DOI: 10.1002/Chem.201203329 |
0.38 |
|
| 2013 |
Osorio E, Vasquez A, Florez E, Mondragon F, Donald KJ, Tiznado W. Theoretical design of stable small aluminium-magnesium binary clusters. Physical Chemistry Chemical Physics : Pccp. 15: 2222-9. PMID 23232743 DOI: 10.1039/C2Cp42015E |
0.654 |
|
| 2013 |
Acelas NY, López D, Mondragón F, Tiznado W, Flórez E. Topological analysis of tetraphosphorus oxides (P4O 6+n (n = 0-4)). Journal of Molecular Modeling. 19: 2057-67. PMID 23090501 DOI: 10.1007/S00894-012-1633-7 |
0.663 |
|
| 2013 |
Oña OB, Alcoba DR, Torre A, Lain L, Torres-Vega JJ, Tiznado W. Orbital localization criterion as a complementary tool in the bonding analysis by means of electron localization function: Study of the Si n(BH)5-n 2- (n = 0-5) clusters Journal of Physical Chemistry A. 117: 12953-12958. DOI: 10.1021/jp4081228 |
0.777 |
|
| 2013 |
Oña OB, Alcoba DR, Tiznado W, Torre A, Lain L. An orbital localization criterion based on the topological analysis of the electron localization function International Journal of Quantum Chemistry. 113: 1401-1408. DOI: 10.1002/Qua.24332 |
0.383 |
|
| 2012 |
Osorio E, Sergeeva AP, Santos JC, Tiznado W. Theoretical study of the Si(5-n)(BH)n2- and Na(Si(5-n)(BH)n)- (n = 0-5) systems. Physical Chemistry Chemical Physics : Pccp. 14: 16326-30. PMID 23132234 DOI: 10.1039/C2Cp42674A |
0.564 |
|
| 2012 |
Osorio E, Olson JK, Tiznado W, Boldyrev AI. Analysis of why boron avoids sp2 hybridization and classical structures in the BnHn+2 series. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 9677-81. PMID 22745112 DOI: 10.1002/Chem.201200506 |
0.391 |
|
| 2012 |
Caballero J, Zilocchi S, Tiznado W, Rossi D, Collina S. Models of the pharmacophoric pattern and affinity trend of methyl 2-(aminomethyl)-1-phenylcyclopropane-1-carboxylate derivatives as σ 1 ligands Molecular Simulation. 38: 227-235. DOI: 10.1080/08927022.2011.614243 |
0.321 |
|
| 2012 |
Osorio E, Sergeeva AP, Santos JC, Tiznado W. Theoretical study of the Si 5-n(BH) n 2- and Na(Si 5-n(BH) n) - (n = 0-5) systems Physical Chemistry Chemical Physics. 14: 16326-16330. DOI: 10.1039/c2cp42674a |
0.481 |
|
| 2012 |
Chandanshive JZ, González PB, Tiznado W, Bonini BF, Caballero J, Femoni C, Comes Franchini M. 1,3-Dipolar cycloaddition of nitrile imines with α,β-unsaturated lactones, thiolactones and lactams: Synthesis of ring-fused pyrazoles Tetrahedron. 68: 3319-3328. DOI: 10.1016/J.Tet.2012.02.068 |
0.3 |
|
| 2012 |
Osorio E, Villalobos V, Santos JC, Donald KJ, Merino G, Tiznado W. Erratum: Structure and stability of the Si 4Li n (n = 1-7) binary clusters (Chemical Physics Letters (2012) 67 (522)) Chemical Physics Letters. 252. DOI: 10.1016/J.Cplett.2012.05.041 |
0.59 |
|
| 2012 |
Osorio E, Villalobos V, Santos JC, Donald KJ, Merino G, Tiznado W. Structure and stability of the Si 4Li n (n = 1-7) binary clusters Chemical Physics Letters. 522: 67-71. DOI: 10.1016/J.Cplett.2011.11.078 |
0.63 |
|
| 2011 |
Osorio E, Ferraro MB, Oña OB, Cardenas C, Fuentealba P, Tiznado W. Assembling Small Silicon Clusters Using Criteria of Maximum Matching of the Fukui Functions. Journal of Chemical Theory and Computation. 7: 3995-4001. PMID 26598345 DOI: 10.1021/Ct200643Z |
0.793 |
|
| 2011 |
El-Hamdi M, Tiznado W, Poater J, Solà M. An analysis of the isomerization energies of 1,2-/1,3-diazacyclobutadiene, pyrazole/imidazole, and pyridazine/pyrimidine with the turn-upside-down approach. The Journal of Organic Chemistry. 76: 8913-21. PMID 21951155 DOI: 10.1021/Jo201639K |
0.342 |
|
| 2011 |
Perez-Peralta N, Contreras M, Tiznado W, Stewart J, Donald KJ, Merino G. Stabilizing carbon-lithium stars. Physical Chemistry Chemical Physics : Pccp. 13: 12975-80. PMID 21687884 DOI: 10.1039/C1Cp21061K |
0.378 |
|
| 2011 |
Cárdenas C, Tiznado W, Ayers PW, Fuentealba P. The Fukui potential and the capacity of charge and the global hardness of atoms. The Journal of Physical Chemistry. A. 115: 2325-31. PMID 21351729 DOI: 10.1021/Jp109955Q |
0.741 |
|
| 2011 |
Cárdenas C, Tiznado W, Ayers PW, Fuentealba P. The Fukui potential and the capacity of charge and the global hardness of atoms Journal of Physical Chemistry A. 115: 2325-2331. DOI: 10.1021/jp109955q |
0.621 |
|
| 2011 |
Osorio E, Ferraro MB, Oña OB, Cardenas C, Fuentealba P, Tiznado W. Assembling small silicon clusters using criteria of maximum matching of the Fukui functions Journal of Chemical Theory and Computation. 7: 3995-4001. DOI: 10.1021/ct200643z |
0.666 |
|
| 2010 |
Castro AC, Osorio E, Jiménez-Halla JO, Matito E, Tiznado W, Merino G. Scalar and Spin-Orbit Relativistic Corrections to the NICS and the Induced Magnetic Field: The case of the E12(2-) Spherenes (E = Ge, Sn, Pb). Journal of Chemical Theory and Computation. 6: 2701-5. PMID 26616070 DOI: 10.1021/Ct100304C |
0.335 |
|
| 2010 |
Fuentealba P, Florez E, Tiznado W. Topological Analysis of the Fukui Function. Journal of Chemical Theory and Computation. 6: 1470-8. PMID 26615684 DOI: 10.1021/Ct100022W |
0.781 |
|
| 2010 |
Fuentealba P, Florez E, Tiznado W. Topological analysis of the Fukui function Journal of Chemical Theory and Computation. 6: 1470-1478. DOI: 10.1021/ct100022w |
0.733 |
|
| 2009 |
Tiznado W, Oña OB, Caputo MC, Ferraro MB, Fuentealba P. Theoretical Study of the Structure and Electronic Properties of Si3On(-) and Si6On(-) (n = 1-6) Clusters. Fragmentation and Formation Patterns. Journal of Chemical Theory and Computation. 5: 2265-73. PMID 26616613 DOI: 10.1021/ct900320r |
0.819 |
|
| 2009 |
Tiznado W, Perez-Peralta N, Islas R, Toro-Labbe A, Ugalde JM, Merino G. Designing 3-D molecular stars. Journal of the American Chemical Society. 131: 9426-31. PMID 19507894 DOI: 10.1021/Ja903694D |
0.6 |
|
| 2009 |
Tiznado W, Oña OB, Caputo MC, Ferraro MB, Fuentealba P. Theoretical Study of the Structure and Electronic Properties of Si 3O n -and Si 6O n -(n=1-6) Clusters. Fragmentation and Formation Patterns Journal of Chemical Theory and Computation. 5: 2265-2273. DOI: 10.1021/ct900320r |
0.653 |
|
| 2007 |
Alzate-Morales JH, Tiznado W, Santos JC, Cárdenas C, Contreras R. Theoretical study on CDK2 inhibitors using a global softness obtained from the density of states. The Journal of Physical Chemistry. B. 111: 3293-7. PMID 17388447 DOI: 10.1021/Jp064549H |
0.746 |
|
| 2006 |
Jaramillo P, Pérez P, Contreras R, Tiznado W, Fuentealba P. Definition of a nucleophilicity scale. The Journal of Physical Chemistry. A. 110: 8181-7. PMID 16805506 DOI: 10.1021/Jp057351Q |
0.757 |
|
| 2005 |
Florez E, Tiznado W, Mondragón F, Fuentealba P. Theoretical study of the interaction of molecular oxygen with copper clusters. The Journal of Physical Chemistry. A. 109: 7815-21. PMID 16834159 DOI: 10.1021/Jp052245+ |
0.765 |
|
| 2005 |
Tiznado W, Chamorro E, Contreras R, Fuentealba P. Comparison among four different ways to condense the Fukui function. The Journal of Physical Chemistry. A. 109: 3220-4. PMID 16833651 DOI: 10.1021/Jp0450787 |
0.778 |
|
| 2005 |
Tiznado W, Ona OB, Bazterra VE, Caputo MC, Facelli JC, Ferraro MB, Fuentealba P. Theoretical study of the adsorption of H on Si n clusters, (n=3-10) Journal of Chemical Physics. 123. PMID 16356043 DOI: 10.1063/1.2128675 |
0.809 |
|
| 2005 |
Tiznado WA, Fuentealba P, Ortiz JV. Pseudopotential and electron propagator methods for the calculation of the photoelectron spectra of anionic silicon clusters: predictions on Si10-. The Journal of Chemical Physics. 123: 144314. PMID 16238398 DOI: 10.1063/1.2048506 |
0.692 |
|
| 2005 |
Tiznado WA, Fuentealba P, Ortiz JV. Pseudopotential and electron propagator methods for the calculation of the photoelectron spectra of anionic silicon clusters: Predictions on Si 10 - Journal of Chemical Physics. 123. DOI: 10.1063/1.2048506 |
0.673 |
|
| 2005 |
Florez E, Tiznado W, Mondragón F, Fuentealba P. Theoretical study of the interaction of molecular oxygen with copper clusters Journal of Physical Chemistry A. 109: 7815-7821. DOI: 10.1021/jp052245+ |
0.755 |
|
| 2005 |
Chamorro E, Duque M, Cárdenas C, Santos J, Tiznado W, Fuentealba P. Condensation of the highest occupied molecular orbital within the electron localization function domains Journal of Chemical Sciences. 117: 419-424. DOI: 10.1007/Bf02708345 |
0.798 |
|
| 2004 |
Santos JC, Tiznado W, Contreras R, Fuentealba P. Sigma-pi separation of the electron localization function and aromaticity. The Journal of Chemical Physics. 120: 1670-3. PMID 15268298 DOI: 10.1063/1.1635799 |
0.792 |
|
| 2004 |
Meneses L, Tiznado W, Contreras R, Fuentealba P. A proposal for a new local hardness as selectivity index Chemical Physics Letters. 383: 181-187. DOI: 10.1016/J.Cplett.2003.11.019 |
0.777 |
|
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