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Ireneusz Grabowski

university of florida

22H指数
64论文数
1.8K被引数
收录论文 26
发表时间
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Negative σ-Holes on Fluorine in Molecules Revisited: Halogen Bonding or Counterintuitive, Anti-Electrostatic Interactions?氟原子上的负σ-空穴再探：卤键还是反直觉、反静电相互作用？
errInternational Journal of Molecular Sciences
IF4.9
err2026-07-23
err0
errOAAI
errPradeep R. Varadwaj; Helder M. Marques; Ireneusz Grabowski; Mohd. Mudassir Husain
err分享
err收藏
Halogen Bonds or Not? Reassessing Noncovalent Interactions in Crystals of Periodate Anion from the Cambridge Structural Database卤素键还是其他？重新评估剑桥结构数据库中高碘酸根离子晶体的非共价相互作用
errMolecules
IF4.6
err2026-06-18
err0
errOAAI
errArpita Varadwaj; Pradeep R. Varadwaj; Helder M. Marques; Ireneusz Grabowski; Koichi Yamashita; Mohd. Mudassir Husain
err分享
err收藏
Anti-Electrostatic Anion-Anion Noncovalent Interactions Are Not Halogen Bonds: Evidence from X···O Contacts in XO4− Dimers and Oligomers in Crystals Structures抗静电阴离子-阴离子非共价相互作用不是卤素键: 来自晶体结构中XO4-二聚体和低聚物中X·O接触的证据
errInternational Journal of Molecular Sciences
IF4.9
err2026-06-10
err0
errOAAI
errArpita Varadwaj; Pradeep R. Varadwaj; Helder M. Marques; Bogumiła Jezierska; Ireneusz Grabowski; Mohd. Mudassir Husain; Koichi Yamashita
err分享
err收藏
Molecular Electrostatic Surface Potential: A Predictive Framework for Noncovalent Interactions and Adsorption Characteristics in Molecular Entities分子静电势表面：预测分子实体中非共价相互作用和吸附特性的框架
errInternational Journal of Molecular Sciences
IF4.9
err2026-04-08
err0
errOAAI
errPradeep R. Varadwaj; Helder M. Marques; Arpita Varadwaj; Ireneusz Grabowski; Koichi Yamashita
err分享
err收藏
Halogen Bonds Formed by Halogen's p/π-Hole in Molecules Help Shape Crystalline Materials由分子中卤素的p/π-空穴形成的卤键有助于塑造晶体材料
errCRYSTAL GROWTH & DESIGN
IF3.4
err2025-04-24
err0
PREAI
errVaradwaj, Pradeep R.; Marques, Helder M.; Grabowski, Ireneusz
err分享
err收藏
The Best DFT Functional Is the Ensemble of Functionals
errADVANCED SCIENCE
IF14.1
err2024-10-25
err0
errOAAI
errRui, Yuting; Chen, Yuxinxin; Ivanova, Elena; Kumar, Vignesh Balaji; Smiga, Szymon; Grabowski, Ireneusz; Dral, Pavlo O.
err分享
err收藏
The ab initio density functional theory applied for spin-polarized calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-02-07
err19
PREAI
errSmiga, Szymon; Marusiak, Volodymyr; Grabowski, Ireneusz; Fabiano, Eduardo
err分享
err收藏
Self-Consistent Range-Separated Density-Functional Theory with Second-Order Perturbative Correction via the Optimized-Effective-Potential Method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-12-09
err17
errOAAI
errSmiga, Szymon; Grabowski, Ireneusz; Witkowski, Mateusz; Mussard, Bastien; Toulouse, Julien
err分享
err收藏
Investigation of the Exchange-Correlation Potentials of Functionals Based on the Adiabatic Connection Interpolation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-01-08
err28
PREAI
errFabiano, Eduardo; Smiga, Szymon; Giarrusso, Sara; Daas, Timothy J.; Della Sala, Fabio; Grabowski, Ireneusz; Gori-Giorgi, Paola
err分享
err收藏
Spin-Component-Scaled ΔMP2 Parametrization: Toward a Simple and Reliable Method for Ionization Energies
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-07-24
err26
PREAI
errSmigar, Szymon; Grabowski, Ireneusz
err分享
err收藏
Self-consistent double-hybrid density-functional theory using the optimized-effective-potential method
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-10-11
err28
errOAAI
errSmiga, Szymon; Franck, Odile; Mussard, Bastien; Buksztel, Adam; Grabowski, Ireneusz; Luppi, Eleonora; Toulouse, Julien
err分享
err收藏
Accurate Kohn-Sham ionization potentials from scaled-opposite-spin second-order optimized effective potential methods
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2016-06-30
err25
PREAI
errSmiga, Szymon; Della Sala, Fabio; Buksztel, Adam; Grabowski, Ireneusz; Fabiano, Eduardo
err分享
err收藏
Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential method
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-07-14
err39
errOAAI
errGrabowski, Ireneusz; Fabiano, Eduardo; Teale, Andrew M.; Smiga, Szymon; Buksztel, Adam; Della Sala, Fabio
err分享
err收藏
Optimized effective potential method based on spin-resolved components of the second-order correlation energy in density functional theory
errPHYSICAL REVIEW B
IF3.7
err2013-02-05
err26
PREAI
errGrabowski, I.; Fabiano, E.; Della Sala, F.
err分享
err收藏
Comparing ab initio density-functional and wave function theories: The impact of correlation on the electronic density and the role of the correlation potential
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2011-09-21
err43
PREAI
errGrabowski, Ireneusz; Teale, Andrew M.; Smiga, Szymon; Bartlett, Rodney J.
err分享
err收藏
Coverage of dynamic correlation effects by density functional theory functionals: Density-based analysis for neon
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2009-04-22
err22
PREAI
errJankowski, K.; Nowakowski, K.; Grabowski, I.; Wasilewski, J.
err分享
err收藏
Ab initio density functional theory applied to quasidegenerate problems
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-10-18
err38
PREAI
errGrabowski, Ireneusz; Lotrich, Victor; Bartlett, Rodney J.
err分享
err收藏
The exchange-correlation potential in ab initio density functional theory -: art. no. 034104
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2004-12-28
err154
PREAI
errBartlett, RJ; Grabowski, I; Hirata, S; Ivanov, S
err分享
err收藏
Connections between second-order Gorling-Levy and many-body perturbation approaches in density functional theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2003-01-08
err30
PREAI
errIvanov, S; Hirata, S; Grabowski, I; Bartlett, RJ
err分享
err收藏
Time-dependent density functional theory employing optimized effective potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2002-04-15
err90
PREAI
errHirata, S; Ivanov, S; Grabowski, I; Bartlett, RJ
err分享
err收藏

研究方向

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合作学者
合作期刊
R
Rodney J. Bartlett
H 指数: 119 · 论文数: 783
K
Kieron Burke
H 指数: 71 · 论文数: 400
S
So Hirata
H 指数: 56 · 论文数: 221
M
Marcel Nooijen
H 指数: 54 · 论文数: 139
F
Fabio Della Sala
H 指数: 53 · 论文数: 287
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