| Year |
Citation |
Score |
| 2019 |
Fernández Galván I, Vacher M, Alavi A, Angeli C, Aquilante F, Autschbach J, Bao JJ, Bokarev SI, Bogdanov NA, Carlson RK, Chibotaru LF, Creutzberg J, Dattani N, Delcey MG, Dong SS, ... ... Frutos LM, et al. OpenMolcas: From source code to insight. Journal of Chemical Theory and Computation. PMID 31509407 DOI: 10.1021/Acs.Jctc.9B00532 |
0.659 |
|
| 2017 |
Valentini A, Rivero D, Zapata F, García-Iriepa C, Marazzi M, Palmeiro R, Fdez Galván I, Sampedro D, Olivucci M, Frutos LM. Optomechanical Control of Quantum Yield in Trans-Cis Ultrafast Photoisomerization of a Retinal Chromophore Model. Angewandte Chemie (International Ed. in English). PMID 28251753 DOI: 10.1002/Anie.201611265 |
0.513 |
|
| 2015 |
Manathunga M, Yang X, Luk HL, Gozem S, Frutos LM, Valentini A, Ferré N, Olivucci M. Probing the Photodynamics of Rhodopsins with Reduced Retinal Chromophores. Journal of Chemical Theory and Computation. PMID 26640959 DOI: 10.1021/Acs.Jctc.5B00945 |
0.745 |
|
| 2015 |
Aquilante F, Autschbach J, Carlson RK, Chibotaru LF, Delcey MG, De Vico L, Fdez Galván I, Ferré N, Frutos LM, Gagliardi L, Garavelli M, Giussani A, Hoyer CE, Li Manni G, Lischka H, et al. Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table. Journal of Computational Chemistry. PMID 26561362 DOI: 10.1002/Jcc.24221 |
0.72 |
|
| 2015 |
Marchand G, Eng J, Schapiro I, Valentini A, Frutos LM, Pieri E, Olivucci M, Léonard J, Gindensperger E. Directionality of Double-Bond Photoisomerization Dynamics Induced by a Single Stereogenic Center. The Journal of Physical Chemistry Letters. 6: 599-604. PMID 26262473 DOI: 10.1021/Jz502644H |
0.696 |
|
| 2015 |
Marchand G, Eng J, Schapiro I, Valentini A, Frutos LM, Pieri E, Olivucci M, Léonard J, Gindensperger E. Directionality of double-bond photoisomerization dynamics induced by a single stereogenic center Journal of Physical Chemistry Letters. 6: 599-604. DOI: 10.1021/jz502644h |
0.661 |
|
| 2014 |
Gozem S, Melaccio F, Valentini A, Filatov M, Huix-Rotllant M, Ferré N, Frutos LM, Angeli C, Krylov AI, Granovsky AA, Lindh R, Olivucci M. Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection. Journal of Chemical Theory and Computation. 10: 3074-84. PMID 26588278 DOI: 10.1021/Ct500154K |
0.744 |
|
| 2014 |
Gozem S, Melaccio F, Valentini A, Filatov M, Huix-Rotllant M, Ferré N, Frutos LM, Angeli C, Krylov AI, Granovsky AA, Lindh R, Olivucci M. Shape of multireference, equation-of-motion coupled-cluster, and density functional theory potential energy surfaces at a conical intersection Journal of Chemical Theory and Computation. 10: 3074-3084. DOI: 10.1021/ct500154k |
0.655 |
|
| 2011 |
Schapiro I, Ryazantsev MN, Frutos LM, Ferré N, Lindh R, Olivucci M. The ultrafast photoisomerizations of rhodopsin and bathorhodopsin are modulated by bond length alternation and HOOP driven electronic effects Journal of the American Chemical Society. 133: 3354-3364. PMID 21341699 DOI: 10.1021/Ja1056196 |
0.705 |
|
| 2010 |
Melloni A, Rossi Paccani R, Donati D, Zanirato V, Sinicropi A, Parisi ML, Martin E, Ryazantsev M, Ding WJ, Frutos LM, Basosi R, Fusi S, Latterini L, Ferré N, Olivucci M. Modeling, preparation, and characterization of a dipole moment switch driven by Z/E photoisomerization. Journal of the American Chemical Society. 132: 9310-9. PMID 20568762 DOI: 10.1021/Ja906733Q |
0.698 |
|
| 2008 |
Lan Z, Frutos LM, Sobolewski AL, Domcke W. Photochemistry of hydrogen-bonded aromatic pairs: Quantum dynamical calculations for the pyrrole-pyridine complex Proceedings of the National Academy of Sciences of the United States of America. 105: 12707-12712. PMID 18663223 DOI: 10.1073/Pnas.0801062105 |
0.397 |
|
| 2008 |
Strambi A, Coto PB, Frutos LM, Ferré N, Olivucci M. Relationship between the excited state relaxation paths of rhodopsin and isorhodopsin Journal of the American Chemical Society. 130: 3382-3388. PMID 18302369 DOI: 10.1021/Ja0749082 |
0.715 |
|
| 2007 |
Frutos LM, Andruniów T, Santoro F, Ferré N, Olivucci M. Tracking the excited-state time evolution of the visual pigment with multiconfigurational quantum chemistry Proceedings of the National Academy of Sciences of the United States of America. 104: 7764-7769. PMID 17470789 DOI: 10.1073/Pnas.0701732104 |
0.689 |
|
| 2007 |
Frutos LM, Sancho U, Garavelli M, Olivucci M, Castaño O. The role of the intersection space in the photochemistry of tricyclo[3.3.0.0(2,6)]octa-3,7-diene. The Journal of Physical Chemistry. A. 111: 2830-8. PMID 17388575 DOI: 10.1021/Jp067590T |
0.44 |
|
| 2007 |
Castaño O, Sancho U, Garavelli M, Olivucci M, Frutos LM. The role of intersection space segments in photochemical reactions Aip Conference Proceedings. 963: 594-597. DOI: 10.1063/1.2836151 |
0.378 |
|
| 2007 |
Frutos LM, Sancho U, Garavelli M, Olivucci M, Castaño O. The role of the intersection space in the photochemistry of tricyclo[3.3.0.02,6]octa-3,7-diene Journal of Physical Chemistry A. 111: 2830-2838. DOI: 10.1021/jp067590t |
0.373 |
|
| 2002 |
Garavelli M, Bernardi F, Cembran A, Castaño O, Frutos LM, Merchán M, Olivucci M. Cyclooctatetraene computational photo- and thermal chemistry: a reactivity model for conjugated hydrocarbons. Journal of the American Chemical Society. 124: 13770-89. PMID 12431107 DOI: 10.1021/Ja020741V |
0.54 |
|
| 2000 |
Castaño O, Frutos LM, Palmeiro R, Notario R, Andrés JL, Gomperts R, Blancafort L, Robb MA. The Valence Isomerization of Cyclooctatetraene to Semibullvalene We are most grateful to "Servicios Informáticos de la Universidad de Alcalá", to Silicon Graphics, Inc. (Boston, MA) for computer facilities, and to Professors José-Luis Abboud (Instituto de Química Física "Rocasolano", C.S.I.C) and Julio Álvarez-Builla (Departamento de Química Organica, Universidad de Alcalá) for their generous and continuous support of our work. O.C. acknowledges financial support by the University of Alcalá for a short stay in the King's College, London, and the D.G.E.S. (project number PM97-0074). Angewandte Chemie (International Ed. in English). 39: 2095-2097. PMID 10941025 DOI: 10.1002/1521-3773(20000616)39:12<2095::Aid-Anie2095>3.0.Co;2-L |
0.39 |
|
| Low-probability matches (unlikely to be authored by this person) |
| 2011 |
Marazzi M, Sancho U, Castaño O, Frutos LM. First principles study of photostability within hydrogen-bonded amino acids Physical Chemistry Chemical Physics. 13: 7805-7811. PMID 21403960 DOI: 10.1039/c0cp02554b |
0.294 |
|
| 2006 |
Frutos LM, Castano O, Andres JL, Merchan M, Acuna AU. A theory of nonvertical triplet energy transfer in terms of accurate potential energy surfaces: the transfer reaction from pi,pi* triplet donors to 1,3,5,7-cyclooctatetraene. The Journal of Chemical Physics. 120: 1208-16. PMID 15268245 DOI: 10.1063/1.1631418 |
0.281 |
|
| 2016 |
García-Iriepa C, Gueye M, Léonard J, Martínez-López D, Campos PJ, Frutos LM, Sampedro D, Marazzi M. A biomimetic molecular switch at work: coupling photoisomerization dynamics to peptide structural rearrangement. Physical Chemistry Chemical Physics : Pccp. 18: 6742-53. PMID 26876376 DOI: 10.1039/C5Cp07599H |
0.277 |
|
| 2007 |
Bakalova SM, Frutos LM, Kaneti J, Castaño O. Correlated MO study of the low-barrier intramolecular motions in donor-acceptor ethenes. The Journal of Physical Chemistry. A. 109: 10388-95. PMID 16833335 DOI: 10.1021/JP051864F |
0.276 |
|
| 2016 |
García-Iriepa C, Ernst HA, Liang Y, Unterreiner AN, Frutos LM, Sampedro D. Study of Model Systems for Bilirubin and Bilin Chromophores: Determination and Modification of Thermal and Photochemical Properties. The Journal of Organic Chemistry. PMID 27391671 DOI: 10.1021/acs.joc.6b00892 |
0.276 |
|
| 2002 |
Castaño O, Palmeiro R, Frutos LM, Luisandrés J. Role of bifurcation in the bond shifting of cyclooctatetraene. Journal of Computational Chemistry. 23: 732-6. PMID 11948591 DOI: 10.1002/jcc.10013 |
0.258 |
|
| 2001 |
Moreno M, Douhal A, Lluch JM, Castaño aO, Frutos LM. Ab Initio Based Exploration of the Potential Energy Surface for the Double Proton Transfer in the First Excited Singlet Electronic State of the 7-Azaindole Dimer Journal of Physical Chemistry A. 105: 3887-3893. DOI: 10.1021/Jp003797P |
0.258 |
|
| 2012 |
Marazzi M, Navizet I, Lindh R, Frutos LM. Photostability Mechanisms in Human γB-Crystallin: Role of the Tyrosine Corner Unveiled by Quantum Mechanics and Hybrid Quantum Mechanics/Molecular Mechanics Methodologies. Journal of Chemical Theory and Computation. 8: 1351-9. PMID 26596750 DOI: 10.1021/Ct300114W |
0.257 |
|
| 2012 |
Marazzi M, Navizet I, Lindh R, Frutos LM. Photostability mechanisms in human γb-crystallin: Role of the tyrosine corner unveiled by quantum mechanics and hybrid quantum mechanics/molecular mechanics methodologies Journal of Chemical Theory and Computation. 8: 1351-1359. DOI: 10.1021/ct300114w |
0.257 |
|
| 2012 |
Marazzi M, Blanco-Lomas M, Rodríguez MA, Campos PJ, Castaño O, Sampedro D, Frutos LM. On the mechanism of the photocyclization of azadienes Tetrahedron. 68: 730-736. DOI: 10.1016/J.Tet.2011.10.101 |
0.251 |
|
| 2015 |
Martínez-López D, Yu ML, García-Iriepa C, Campos PJ, Frutos LM, Golen JA, Rasapalli S, Sampedro D. Hydantoin-based molecular photoswitches. The Journal of Organic Chemistry. 80: 3929-39. PMID 25806596 DOI: 10.1021/Acs.Joc.5B00244 |
0.241 |
|
| 2013 |
García-Iriepa C, Marazzi M, Zapata F, Valentini A, Sampedro D, Frutos LM. Chiral hydrogen bond environment providing unidirectional rotation in photoactive molecular motors Journal of Physical Chemistry Letters. 4: 1389-1396. DOI: 10.1021/jz302152v |
0.236 |
|
| 2013 |
García-Iriepa C, Marazzi M, Zapata F, Valentini A, Sampedro D, Frutos LM. Chiral Hydrogen Bond Environment Providing Unidirectional Rotation in Photoactive Molecular Motors. The Journal of Physical Chemistry Letters. 4: 1389-96. PMID 26282290 DOI: 10.1021/jz302152v |
0.235 |
|
| 2012 |
Fernández-González MÁ, Marazzi M, López-Delgado A, Zapata F, García-Iriepa C, Rivero D, Castaño O, Temprado M, Frutos LM. Structural Substituent Effect in the Excitation Energy of a Chromophore: Quantitative Determination and Application to S-Nitrosothiols. Journal of Chemical Theory and Computation. 8: 3293-302. PMID 26605736 DOI: 10.1021/ct300597u |
0.234 |
|
| 2014 |
Zapata F, Fernández-González MÁ, Rivero D, Álvarez Á, Marazzi M, Frutos LM. Toward an Optomechanical Control of Photoswitches by Tuning Their Spectroscopical Properties: Structural and Dynamical Insights into Azobenzene. Journal of Chemical Theory and Computation. 10: 312-23. PMID 26579912 DOI: 10.1021/ct4007629 |
0.233 |
|
| 2022 |
Jodra A, García-Iriepa C, Frutos LM. Mechanical Activation of Forbidden Photoreactivity in Oxa-di-π-methane Rearrangement. The Journal of Organic Chemistry. PMID 36166757 DOI: 10.1021/acs.joc.2c00720 |
0.231 |
|
| 2009 |
Frutos LM, Carriedo GA, Tarazona MP, Saiz E. Theoretical Study on the Mechanism and Regioselectivity of the Macromolecular Substitution Reactions of [NPCl2]n with Bifunctional Nucleophiles by a Combination of Quantum Mechanical and Molecular Dynamics Calculations Macromolecules. 42: 8769-8773. DOI: 10.1021/MA9015938 |
0.231 |
|
| 2007 |
Frutos LM, Markmann A, Sobolewski AL, Domcke W. Photoinduced electron and proton transfer in the hydrogen-bonded pyridine-pyrrole system. The Journal of Physical Chemistry. B. 111: 6110-2. PMID 17503807 DOI: 10.1021/Jp0729361 |
0.231 |
|
| 2019 |
Valentini A, Nucci M, Frutos LM, Marazzi M. Photosensitized Retinal Isomerization in Rhodopsin Mediated by a Triplet State Chemphotochem. 3: 925-932. DOI: 10.1002/CPTC.201900067 |
0.225 |
|
| 2016 |
Rivero D, Valentini A, Fernández-González MÁ, Zapata F, García-Iriepa C, Sampedro D, Palmeiro R, Frutos LM. Mechanical Forces Alter Conical Intersections Topology. Journal of Chemical Theory and Computation. 11: 3740-5. PMID 26574456 DOI: 10.1021/acs.jctc.5b00375 |
0.22 |
|
| 2016 |
Rivero D, Valentini A, Fernández-González MÁ, Zapata F, García-Iriepa C, Sampedro D, Palmeiro R, Frutos LM. Mechanical Forces Alter Conical Intersections Topology. Journal of Chemical Theory and Computation. 11: 3740-5. PMID 26574456 DOI: 10.1021/acs.jctc.5b00375 |
0.22 |
|
| 2019 |
García-Iriepa C, Sampedro D, Mendicuti F, Léonard J, Frutos LM. Photoreactivity Control Mediated by Molecular Force Probes in Stilbene. The Journal of Physical Chemistry Letters. 1063-1067. PMID 30707586 DOI: 10.1021/acs.jpclett.8b03802 |
0.218 |
|
| 2021 |
Fernández-González MÁ, Frutos LM. The concept of substituent-induced force in the rationale of substituent effect. The Journal of Chemical Physics. 154: 224106. PMID 34241192 DOI: 10.1063/5.0052836 |
0.214 |
|
| 2011 |
Camacho-Artacho M, Abet V, Frutos LM, Gago F, Alvarez-Builla J, Burgos C. Unusual approach to 3-aryl-2-aminopyridines through a radical mechanism: synthesis and theoretical rationale from quantum mechanical calculations. The Journal of Organic Chemistry. 76: 1452-5. PMID 21265527 DOI: 10.1021/jo102122h |
0.212 |
|
| 2010 |
Marazzi M, Sancho U, Castaño O, Domcke W, Frutos LM. Photoinduced proton transfer as a possible mechanism for highly efficient excited-state deactivation in proteins Journal of Physical Chemistry Letters. 1: 425-428. DOI: 10.1021/Jz900262W |
0.21 |
|
| 2021 |
Zapata F, Nucci M, Castaño O, Marazzi M, Frutos LM. Thermal and Mechanochemical Tuning of the Porphyrin Singlet-Triplet Gap for Selective Energy Transfer Processes: A Molecular Dynamics Approach. Journal of Chemical Theory and Computation. 17: 5429-5439. PMID 34351751 DOI: 10.1021/acs.jctc.1c00291 |
0.202 |
|
| 2007 |
Frutos LM, Markmann A, Sobolewski AL, Domcke W. Photoinduced electron and proton transfer in the hydrogen-bonded pyridine - Pyrrole system Journal of Physical Chemistry B. 111: 6110-6112. DOI: 10.1021/jp0729361 |
0.202 |
|
| 2004 |
Frutos LM, Sancho U, Castaño O. Triplet versus singlet photoreaction mechanism in the barrelene di-pi-methane rearrangement. Organic Letters. 6: 1229-31. PMID 15070304 DOI: 10.1021/ol049977p |
0.199 |
|
| 2014 |
Rivero D, Fernández-González MA, Frutos LM. Tuning molecular excitation energy with external forces Computational and Theoretical Chemistry. 1040: 106-111. DOI: 10.1016/j.comptc.2014.04.004 |
0.194 |
|
| 2017 |
Vacher M, Farahani P, Valentini A, Frutos LM, Karlsson HO, Fdez Galván I, Lindh R. How Do Methyl Groups Enhance the Triplet Chemiexcitation Yield of Dioxetane? The Journal of Physical Chemistry Letters. 8: 3790-3794. PMID 28749694 DOI: 10.1021/acs.jpclett.7b01668 |
0.193 |
|
| 2005 |
Frutos LM, Sancho U, Castaño O. Intramolecular triplet-triplet energy transfer in oxa- and aza-di-pi-methane photosensitized systems. The Journal of Physical Chemistry. A. 109: 2993-5. PMID 16833621 DOI: 10.1021/jp050550p |
0.186 |
|
| 2008 |
Petrisor CE, Frutos LM, Castaño O, Mosquera ME, Royo E, Cuenca T. Olefin isomerisation versus hydrozirconation: a case of a stable beta-hydrogen-containing Zr-alkyl derivative. Dalton Transactions (Cambridge, England : 2003). 2670-3. PMID 18688396 DOI: 10.1039/b803419m |
0.186 |
|
| 2014 |
Zapata F, Marazzi M, Castaño O, Acuña AU, Frutos LM. Definition and determination of the triplet-triplet energy transfer reaction coordinate. The Journal of Chemical Physics. 140: 034102. PMID 25669358 DOI: 10.1063/1.4861560 |
0.183 |
|
| 2023 |
Jodra A, García-Iriepa C, Frutos LM. An Algorithm Predicting the Optimal Mechanical Response of Electronic Energy Difference. Journal of Chemical Theory and Computation. 19: 6392-6401. PMID 37669417 DOI: 10.1021/acs.jctc.3c00490 |
0.182 |
|
| 2020 |
Dudev T, Frutos LM, Castaño O. How mechanical forces can modulate the metal affinity and selectivity of metal binding sites in proteins. Metallomics : Integrated Biometal Science. 12: 363-370. PMID 31909407 DOI: 10.1039/c9mt00283a |
0.178 |
|
| 2013 |
García-Iriepa C, Marazzi M, Frutos LM, Sampedro D. E/Z Photochemical switches: Syntheses, properties and applications Rsc Advances. 3: 6241-6266. DOI: 10.1039/c2ra22363e |
0.177 |
|
| 2007 |
Frutos LM, Castaño O. A new algorithm for predicting triplet-triplet energy-transfer activated complex coordinate in terms of accurate potential-energy surfaces. The Journal of Chemical Physics. 123: 104108. PMID 16178590 DOI: 10.1063/1.1993592 |
0.176 |
|
| 2005 |
Sánchez-Nieves J, Frutos LM, Royo P, Castaño O, Herdtweck E. Trapping Unstable Terminal Ta−O Multiple Bonds of Monocyclopentadienyl Tantalum Complexes with a Lewis Acid Organometallics. 24: 2004-2007. DOI: 10.1021/OM049012+ |
0.165 |
|
| 2012 |
Marazzi M, López-Delgado A, Fernández-González MA, Castaño O, Frutos LM, Temprado M. Modulating nitric oxide release by S-nitrosothiol photocleavage: Mechanism and substituent effects Journal of Physical Chemistry A. 116: 7039-7049. PMID 22667985 DOI: 10.1021/jp304707n |
0.161 |
|
| 2017 |
Fernández-González MÁ, Rivero D, García-Iriepa C, Sampedro D, Frutos LM. Mechanochemical Tuning of Pyrene Absorption Spectrum Using Force Probes. Journal of Chemical Theory and Computation. 13: 727-736. PMID 28080052 DOI: 10.1021/acs.jctc.6b01020 |
0.144 |
|
| 2003 |
Frutos L, Castaño O, Merchán M. Theoretical Determination of the Singlet → Singlet and Singlet → Triplet Electronic Spectra, Lowest Ionization Potentials, and Electron Affinity of Cyclooctatetraene The Journal of Physical Chemistry A. 107: 5472-5478. DOI: 10.1021/JP030193N |
0.128 |
|
| 2007 |
Montilla F, Frutos LM, Mateo CR, Mallavia R. Fluorescence Emission Anisotropy Coupled to an Electrochemical System: Study of Exciton Dynamics in Conjugated Polymers The Journal of Physical Chemistry C. 111: 18405-18410. DOI: 10.1021/JP075587J |
0.123 |
|
| 2015 |
Martinez-Lopez D, Yu M, Garcia-Iriepa C, Campos PJ, Frutos LM, Golen JA, Rasapalli S, Sampedro D. ChemInform Abstract: Hydantoin-Based Molecular Photoswitches. Cheminform. 46: no-no. DOI: 10.1002/CHIN.201535142 |
0.118 |
|
| 2018 |
García-Iriepa C, Frutos LM. Molecular Switching by Electron Holes Chem. 4: 1488-1489. DOI: 10.1016/J.CHEMPR.2018.06.010 |
0.114 |
|
| 2011 |
Cai X, Majumdar S, Fortman GC, Frutos LM, Temprado M, Clough CR, Cummins CC, Germain ME, Palluccio T, Rybak-Akimova EV, Captain B, Hoff CD. Thermodynamic, kinetic, and mechanistic study of oxygen atom transfer from mesityl nitrile oxide to phosphines and to a terminal metal phosphido complex. Inorganic Chemistry. 50: 9620-30. PMID 21875050 DOI: 10.1021/Ic2013599 |
0.112 |
|
| 2017 |
Abengózar A, García-García P, Sucunza D, Frutos LM, Castaño O, Sampedro D, Pérez-Redondo A, Vaquero JJ. Synthesis, Optical Properties, and Regioselective Functionalization of 4a-Aza-10a-boraphenanthrene. Organic Letters. 19: 3458-3461. PMID 28605913 DOI: 10.1021/acs.orglett.7b01435 |
0.11 |
|
| 2001 |
Palmeiro R, Frutos LM, Castaño O. Note on the theory of bifurcation of chemical reactions International Journal of Quantum Chemistry. 86: 422-425. DOI: 10.1002/QUA.1109 |
0.107 |
|
| 2018 |
Abengózar A, Fernández-González MA, Sucunza D, Frutos LM, Salgado A, García-García P, Vaquero JJ. C-H Functionalization of BN-Aromatics Promoted by Addition of Organolithium Compounds to the Boron Atom. Organic Letters. 20: 4902-4906. PMID 30070487 DOI: 10.1021/acs.orglett.8b02040 |
0.096 |
|
| 2007 |
González-Maupoey M, Cuenca T, Frutos LM, Castaño O, Herdtweck E, Rieger B. Alkylmono(cyclopentadienyl)titanium complexes containing the 2,2'-methylenebis (6 -tert -butyl -4 -methylphenoxido) ligand : Studies on the nature of the catalytic species present in α-olefin polymerisation processes European Journal of Inorganic Chemistry. 2007: 147-161. DOI: 10.1002/Ejic.200600710 |
0.076 |
|
| 2019 |
Nucci M, Marazzi M, Frutos LM. Mechanochemical Improvement of Norbornadiene-Based Molecular Solar–Thermal Systems Performance Acs Sustainable Chemistry & Engineering. 7: 19496-19504. DOI: 10.1021/acssuschemeng.9b04503 |
0.064 |
|
| 2003 |
González-Maupoey M, Cuenca T, Frutos LM, Castaño O, Herdtweck E. Monocyclopentadienyl and ansa-Monocyclopentadienylalkoxo Complexes of Titanium Containing the 2,2‘-Methylenebis(6-tert-butyl-4-methylphenoxo) Ligand. Synthesis, Characterization, and Polymerization Catalyst Behavior. Molecular Structure of Ti(η5-C5H5)(η2-MBMP)Cl, Ti(η5-C5Me5)(η2-MBMP)Cl, and Ti(η5-C5H4SiMe2-η1-MBMP)Cl2 Organometallics. 22: 2694-2704. DOI: 10.1021/OM030010J |
0.058 |
|
| 1999 |
Castaño O, Notario R, Abboud JM, Gomperts R, Palmeiro R, Frutos L. Organic Thermochemistry at High ab Initio Levels. 2. Meeting the Challenge: Standard Heats of Formation of Gaseous Norbornane, 2-Norbornene, 2,5-Norbornadiene, Cubane, and Adamantane at the G2 Level The Journal of Organic Chemistry. 64: 9015-9018. DOI: 10.1021/JO9908997 |
0.055 |
|
| 2010 |
Sánchez-Nieves J, Frutos LM, Royo P, Castaño O, Herdtweck E, Mosquera ME. Trapping unstable terminal M-O multiple bonds of monocyclopentadienyl niobium and tantalum complexes with Lewis acids. Inorganic Chemistry. 49: 10642-8. PMID 20949930 DOI: 10.1021/ic1016609 |
0.052 |
|
| 2009 |
Sudupe M, Cano J, Royo P, Mosquera MEG, Frutos LM, Castaño O. Regioselective Synthesis of 1,2- and 1,3-Di(silylamido)cyclopentadienyl Zirconium Complexes Organometallics. 29: 263-268. DOI: 10.1021/OM9009087 |
0.05 |
|
| 2005 |
Santamaría D, Cano J, Royo P, Mosquera ME, Cuenca T, Frutos LM, Castaño O. Carbon dioxide activation assisted by a bis(chlorodimethylsilyl)cyclopentadienyl titanium compound. Angewandte Chemie (International Ed. in English). 44: 5828-30. PMID 16080227 DOI: 10.1002/anie.200500716 |
0.021 |
|
| Hide low-probability matches. |