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G

Gustavo A. Aucar

institute for modeling and innovative technology

27H指数
121论文数
2.7K被引数
收录论文 28
发表时间
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The Analysis of NMR Magnetic Shieldings of Transition Metal (M)-Containing Molecules, M Belonging to Groups IIB, VIB and VIIIB, by Applying the LRESC-Loc Model过渡金属（M）含分子（M属于IIB、VIB和VIIIB族）的NMR磁屏蔽分析：应用LRESC-Loc模型
errMagnetochemistry
IF2.5
err2026-09-02
err0
errOAAI
errAndy D. Zapata-Escobar; Alejandro F. Maldonado; Gustavo A. Aucar
err分享
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Relativistic quantum theory for atomic and molecular response properties原子和分子响应性质的相对论量子理论
errPURE AND APPLIED CHEMISTRY
IF2
err2025-10-01
err0
PREAI
errAucar, Ignacio Agustin; Juan Jose, Aucar; Aucar, Gustavo Adolfo
err分享
err收藏
Molecular Response Properties, Electron Correlation, and Quantum Entanglement分子响应性质、电子关联和量子纠缠
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-04-28
err0
PREAI
errBajac, Daniel F. E.; Escobar, Andy D. Zapata; Aucar, Gustavo A.
err分享
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Relativistic and quantum electrodynamics effects on NMR shielding tensors of TlX (X = H, F, Cl, Br, I, At) molecules
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-08-12
err1
errOAAI
errKoziol, Karol; Aucar, I. Agustin; Gaul, Konstantin; Berger, Robert; Aucar, Gustavo A.
err分享
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A Bi-directional method for evaluating integrals involving higher transcendental functions. HyperRAF: A Julia package for new hyper-radial functions
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2024-02-01
err1
PREAI
errBagci, A.; Aucar, Gustavo A.
err分享
err收藏
A relativistic relationship between parity-violating nuclear spin-rotation tensors and parity-violating NMR shielding tensors
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-03-01
err3
PREAI
errAucar, I. Agustin; Colombo Jofre, Mariano T. T.; Aucar, Gustavo A. A.
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err收藏
Ammonia: The molecule for establishing 14N and 15N absolute shielding scales and a source of information on nuclear magnetic moments
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-08-23
err3
PREAI
errMakulski, Wlodzimierz; Aucar, Juan J.; Aucar, Gustavo A.
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Relativistic and QED corrections to one-bond indirect nuclear spin-spin couplings in X22+ and X32+ ions (X = Zn, Cd, Hg)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-08-08
err5
errOAAI
errColombo Jofre, Mariano T.; Koziol, Karol; Agustin Aucar, I; Gaul, Konstantin; Berger, Robert; Aucar, Gustavo A.
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On the quantum origin of few response properties
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-12-10
err1
errOAAI
errMillan, Leonardo A.; Giribet, Claudia G.; Aucar, Gustavo A.
err分享
err收藏
Performance of the LRESC Model on top of DFT Functionals for Relativistic NMR Shielding Calculations
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2019-12-26
err6
PREAI
errMelo, Juan, I; Maldonado, Alejandro F.; Aucar, Gustavo A.
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Relativistic and QED effects on NMR magnetic shielding constant of neutral and ionized atoms and diatomic molecules
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-05-09
err12
errOAAI
errKoziol, Karol; Agustin Aucar, I.; Aucar, Gustavo A.
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QED effects on individual atomic orbital energies
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-04-02
err20
errOAAI
errKoziol, Karol; Aucar, Gustavo A.
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Breit corrections to individual atomic and molecular orbital energies
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-01-29
err21
errOAAI
errKoziol, Karol; Gimenez, Carlos A.; Aucar, Gustavo A.
err分享
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Analysis of Proton NMR in Hydrogen Bonds in Terms of Lone-Pair and Bond Orbital Contributions
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2015-10-07
err22
errOAAI
errSutter, Kiplangat; Aucar, Gustavo A.; Autschbach, Jochen
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Relativistic effects on nuclear magnetic shieldings of CHnX4-n and CHXYZ (X, Y, Z = H, F, Cl, Br, I)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2012-12-07
err13
errOAAI
errMelo, Juan I.; Maldonado, Alejandro F.; Aucar, Gustavo A.
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Nuclear charge-distribution effects on the NMR spectroscopy parameters
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2012-06-14
err13
errOAAI
errMaldonado, Alejandro F.; Gimenez, Carlos A.; Aucar, Gustavo A.
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The analysis of NMR J-couplings of saturated and unsaturated compounds by the localized second order polarization propagator approach method
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2012-05-04
err8
errOAAI
errZarycz, Natalia; Aucar, Gustavo A.
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Relativistic effects on the nuclear magnetic resonance shielding of FX (X = F, Cl, Br, I, and At) molecular systems
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2011-05-27
err19
PREAI
errGomez, Sergio S.; Aucar, Gustavo A.
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The appearance of an interval of energies that contain the whole diamagnetic contribution to NMR magnetic shieldings
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-10-19
err15
errOAAI
errMaldonado, Alejandro; Aucar, Gustavo A.
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Relativistic heavy-atom effects on heavy-atom nuclear shieldings
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2006-11-14
err42
PREAI
errLantto, Perttu; Romero, Rodolfo H.; Gomez, Sergio S.; Aucar, Gustavo A.; Vaara, Juha
err分享
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