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J

José Elguero

consejo superior de investigaciones cientificas (csic)

85H指数
2.1K论文数
4.5W被引数
收录论文 209
发表时间
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A Computational Study of the NMR Chemical Shifts of Polynitropyrazoles
errMAGNETIC RESONANCE IN CHEMISTRY
IF1.4
err2025-10-01
err0
errOAAI
errAlcorta, Arturo; Claramunt, Rosa M.; Elguero, Jose; Alkorta, Ibon
err分享
err收藏
An Empirical Equation to Transform 11B GIAO-Calculated Absolute Shieldings (σ, ppm) in Chemical Shifts (δ, ppm)一个经验方程，用于将11B GIAO计算得到的绝对屏蔽值（σ，ppm）转换为化学位移值（δ，ppm）
errMAGNETIC RESONANCE IN CHEMISTRY
IF1.4
err2025-09-01
err0
errOAAI
errAlkorta, Ibon; Elguero, Jose
err分享
err收藏
The Structure of Nitro- and Polynitropyrazoles: X-Ray Crystallography Versus Theoretical Calculations硝基-和多硝基吡唑的结构：X射线晶体学与理论计算
errAsian Journal of Organic Chemistry
IF2.7
err2025-07-31
err0
errOAAI
errRosa M. Claramunt; Marta Pérez-Torralba; José Elguero; Ibon Alkorta
err分享
err收藏
Boron beats nitrogen: strained boron–boron bonds as (molecular) proton sponges硼胜过氮：应变硼-硼键作为（分子）质子海绵
errPhys. Chem. Chem. Phys.
IF2.9
err2025-07-23
err0
errOAAI
errIbon Alkorta; José Elguero; M. Merced Montero-Campillo; Otilia Mó; Manuel Yáñez
err分享
err收藏
Unraveling the conglomeratic nature of methanol clusters adsorbed on graphene surfaces. Insights from molecular dynamics simulations揭示吸附在石墨烯表面的甲醇簇的砾岩性质。分子动力学模拟的见解
errRSC ADVANCES
IF4.6
err2025-01-01
err0
errOAAI
errde la Concepcion, Juan Garcia; Jimenez-Serra, Izaskun; Alkorta, Ibon; Elguero, Jose; Cintas, Pedro
err分享
err收藏
Striking Borane Planarization in the Thermal Rearrangement (η5-C5H5)Fe(η3-B5H10)→(η5-C5H5)Fe(η5-B5H10)
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2024-06-14
err1
errOAAI
errFerrer, Maxime; Alkorta, Ibon; Elguero, Jose; Barrios-Llacuachaqui, Julio R.; Tiznado, William; Oliva-Enrich, Josep M.
err分享
err收藏
Discovering trends in the Lewis acidity of beryllium and magnesium hydrides and fluorides with increasing clusters size
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-04-03
err0
errOAAI
errMo, Otilia; Montero-Campillo, M. Merced; Yanez, Manuel; Alkorta, Ibon; Elguero, Jose
err分享
err收藏
A Holistic View of the Interactions between Electron-Deficient Systems: Clustering of Beryllium and Magnesium Hydrides and Halides
errMOLECULES
IF4.6
err2023-11-09
err1
errOAAI
errMo, Otilia; Montero-Campillo, M. Merced; Yanez, Manuel; Alkorta, Ibon; Elguero, Jose
err分享
err收藏
Metastable Charged Dimers in Organometallic Species: A Look into Hydrogen Bonding between Metallocene Derivatives有机金属物种中的亚稳态带电二聚体: 茂金属衍生物之间的氢键研究
errINORGANIC CHEMISTRY
IF4.7
err2023-09-27
err1
errOAAI
errMartin-Fernandez, Carlos; Ferrer, Maxime; Alkorta, Ibon; Montero-Campillo, M. Merced; Elguero, Jose; Mandado, Marcos
err分享
err收藏
Two Shared Icosahedral Metallacarboranes through Iron: A Joint Experimental and Theoretical Refinement of Mo?ssbauer Spectrum in [Fe(1,2-C2B9H11)2]Cs
errACS OMEGA
IF4.3
err2023-04-07
err4
errOAAI
errMarco, Jose F.; Davalos-Prado, Juan Z.; Hnyk, Drahomir; Holub, Josef; Ona, Ofelia B.; Alcoba, Diego R.; Ferrer, Maxime; Elguero, Jose; Lain, Luis; Torre, Alicia; Oliva-Enrich, Josep M.
err分享
err收藏
Reactivity of a model of B3P3-doped nanographene with up to three CO2 molecules
errSCIENTIFIC REPORTS
IF3.9
err2023-02-10
err6
errOAAI
errFerrer, Maxime; Alkorta, Ibon; Elguero, Jose; Oliva-Enrich, Josep M.
err分享
err收藏
X-ray Molecular Structures of 23 N1-4-Nitrophenyl, 2,4-Dinitrophenyl, and 2,4,6-Trinitrophenyl-2-pyrazolines
errCRYSTAL GROWTH & DESIGN
IF3.4
err2023-01-03
err0
errOAAI
errTorralba, M. Carmen; Nieto, Carla I.; Claramunt, Rosa M.; Elguero, Jose
err分享
err收藏
Pyrazaboles and pyrazolylboranes
errCOORDINATION CHEMISTRY REVIEWS
IF23.5
err2022-12-01
err5
errOAAI
errNieto, Carla I.; Sanz, Dionisia; Claramunt, Rosa M.; Alkorta, Ibon; Elguero, Jose
err分享
err收藏
Determination of the tautomerism of albendazole desmotropes using solution and solid state NMR together with DFT theoretical calculations, both energies and chemical shifts
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2022-08-01
err3
errOAAI
errClaramunt, Rosa M.; Lopez, Concepcion; Sanz, Dionisia; Elguero, Jose; Alkorta, Ibon
err分享
err收藏
Rotational Behavior of N-(5-Substituted-pyrimidin-2-yl)anilines: Relayed Electronic Effect in Two N-Ar Bond Rotations
errJOURNAL OF ORGANIC CHEMISTRY
IF3.6
err2022-06-03
err6
errOAAI
errHomma, Daiki; Taketani, Shuhei; Shirai, Takeshi; Caytan, Elsa; Roussel, Christian; Elguero, Jose; Alkorta, Ibon; Kitagawa, Osamu
err分享
err收藏
Disrupting bonding in azoles through beryllium bonds: Unexpected coordination patterns and acidity enhancement
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-05-16
err4
errOAAI
errMontero-Campillo, M. Merced; Mo, Otilia; Alkorta, Ibon; Elguero, Jose; Yanez, Manuel
err分享
err收藏
Study of the Addition Mechanism of 1H-Indazole and Its 4-,5-,6-,and 7-Nitro Derivatives to Formaldehyde in Aqueous HydrochloricAcid Solutions
errJOURNAL OF ORGANIC CHEMISTRY
IF3.6
err2022-04-11
err6
errOAAI
errAlkorta, Ibon; Claramunt, Rosa M.; Elguero, Jose; Gutierrez-Puebla, Enrique; Angeles Monge, M.; Reviriego, Felipe; Roussel, Christian
err分享
err收藏
Large Stabilization Effects by Intramolecular Beryllium Bonds in Ortho-Benzene Derivatives邻苯衍生物中分子内铍键的大稳定作用
errMOLECULES
IF4.6
err2021-06-04
err2
errOAAI
errI-Ting, Tsai; Montero-Campillo, M. Merced; Alkorta, Ibon; Elguero, Jose; Yanez, Manuel
err分享
err收藏
Perturbing the O-H horizontal ellipsis O Hydrogen Bond in 1-oxo-3-hydroxy-2-propene
errMOLECULES
IF4.6
err2021-05-21
err3
errOAAI
errAlkorta, Ibon; Elguero, Jose; Del Bene, Janet E.
err分享
err收藏
The Importance of Strain (Preorganization) in Beryllium Bonds
errMOLECULES
IF4.6
err2020-12-11
err3
errOAAI
errAlkorta, Ibon; Elguero, Jose; Oliva-Enrich, Josep M.; Yanez, Manuel; Mo, Otilia; Montero-Campillo, M. Merced
err分享
err收藏

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