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G

Goerigk, Lars

Monash University

0H指数
1论文数
1被引数
收录论文 46
发表时间
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Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts平面化还是扭曲？利用立体工程揭示力致荧光红移的起源
errChem. Sci.
IF7.4
err2025-07-21
err0
errOAAI
errPeter William McDonald; Lars Goerigk; Chris Ritchie
err分享
err收藏
Cobalt Complexes with Aminophenolate Ligands: Spin Crossover and Ligand Versatility带有氨基酚盐配体的钴配合物: 自旋交叉和配体多功能性
errINORGANIC CHEMISTRY
IF4.7
err2025-01-06
err0
PREAI
errIsmail, I. Haseena; Giansiracusa, Marcus J.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette
err分享
err收藏
Showcasing physical chemistry research in Australia and New Zealand - a vital nexus of innovation and opportunity展示澳大利亚和新西兰的物理化学研究——一个创新和机遇的重要枢纽
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2025-01-01
err0
PREAI
errMasters, Sarah L.; Goerigk, Lars
err分享
err收藏
Putting the squeeze on valence tautomerism in cobalt-dioxolene complexes
errNATURE COMMUNICATIONS
IF15.7
err2024-10-16
err1
errOAAI
errSummers, Aston; Zahir, F. Zahra M.; Turner, Gemma F.; Hay, Moya A.; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Bird, Stephanie; Goerigk, Lars; Boskovic, Colette; Moggach, Stephen A.
err分享
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How do spin-scaled double hybrids designed for excitation energies perform for noncovalent excited-state interactions? An investigation on aromatic excimer models为激发能设计的自旋缩放双杂交体如何为非共价激发态相互作用？芳香准分子模型的研究
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-03-29
err2
errOAAI
errHancock, Amy C.; Giudici, Erica; Goerigk, Lars
err分享
err收藏
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err4
errOAAI
errZahir, F. Zahra M.; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette
err分享
err收藏
Fluorescence modulation of pyridinium betaines: a mechanofluorochromic investigation
errJOURNAL OF MATERIALS CHEMISTRY C
IF5.1
err2024-01-01
err1
PREAI
errMcdonald, Peter W.; Xu, Jingjing; Lonsdale, Dale R.; Jones, Isabelle; Poggi, Benjamin; Cox, Rosalind P.; Aloise, Stephane; Scully, Andrew D.; Allain, Clemence; Bodelot, Laurence; Moggach, Stephen A.; Bell, Toby D. M.; Metivier, Remi; Furness, Sebastian G. B.; Goerigk, Lars; Ritchie, Chris
err分享
err收藏
Benchmarking Density Functional Theory Methods for Metalloenzyme Reactions: The Introduction of the MME55 Set
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-11-09
err14
errOAAI
errWappett, Dominique A.; Goerigk, Lars
err分享
err收藏
One-electron self-interaction error and its relationship to geometry and higher orbital occupation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-01-23
err5
errOAAI
errLonsdale, Dale R. R.; Goerigk, Lars
err分享
err收藏
Electrical conductivity and DFT investigations of a 2D CuI-TCNQII- framework
errJOURNAL OF MATERIALS CHEMISTRY C
IF5.1
err2023-01-01
err1
PREAI
errSutton, Ashley L.; Abrahams, Brendan F.; Commons, Christopher J.; Dharma, A. David; Goerigk, Lars; Hardin, Simon G.; Hudson, Timothy A.; Robson, Richard
err分享
err收藏
Assessing Recent Time-Dependent Double-Hybrid Density Functionals on Doublet-Doublet Excitations评估双峰-双峰激发上最近的时间相关双混合密度泛函
errACS PHYSICAL CHEMISTRY AU
IF4.3
err2022-05-17
err8
errOAAI
errVan Dijk, Joshua; Casanova-Paez, Marcos; Goerigk, Lars
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A photo-switchable molecular capsule: sequential photoinduced processes
errCHEMICAL SCIENCE
IF7.4
err2022-01-01
err5
errOAAI
errChoudhari, Manjiri; Xu, Jingjing; McKay, Alasdair, I; Guerrin, Clement; Forsyth, Craig; Ma, Howard Z.; Goerigk, Lars; O'Hair, Richard A. J.; Bonnefont, Antoine; Ruhlmann, Laurent; Aloise, Stephane; Ritchie, Chris
err分享
err收藏
A Convenient DFT-Based Strategy for Predicting Transition Temperatures of Valence Tautomeric Molecular Switches
errINORGANIC CHEMISTRY
IF4.7
err2021-09-08
err18
PREAI
errJanetzki, Jett T.; Zahir, F. Zahra M.; Gable, Robert W.; Phonsri, Wasinee; Murray, Keith S.; Goerigk, Lars; Boskovic, Colette
err分享
err收藏
Multifunctional Coordination Polymer Exhibiting Reversible Mechanical Motion Allowing Selective Uptake of Guests and Leading to Enhanced Electrical Conductivity多功能配位聚合物表现出可逆的机械运动，允许选择性吸收客体并导致增强的电导率
errINORGANIC CHEMISTRY
IF4.7
err2021-08-24
err5
PREAI
errElliott, Robert W.; Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Goerigk, Lars; Hua, Carol; Hudson, Timothy A.; Robson, Richard; White, Keith F.
err分享
err收藏
Time-Dependent Long-Range-Corrected Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite Scaling: A Comprehensive Analysis of Singlet-Singlet and Singlet-Triplet Excitation Energies
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-07-22
err83
errOAAI
errCasanova-Paez, Marcos; Goerigk, Lars
err分享
err收藏
CHAL336 Benchmark Set: How Well Do Quantum-Chemical Methods Describe Chalcogen-Bonding Interactions?
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-04-21
err50
errOAAI
errMehta, Nisha; Fellowes, Thomas; White, Jonathan M.; Goerigk, Lars
err分享
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Global double hybrids do not work for charge transfer: A comment on Double hybrids and time-dependent density functional theory: An implementation and benchmark on charge transfer excited states全局双混合不适用于电荷转移: 对双混合和随时间变化的密度泛函理论的评论: 电荷转移激发态的实现和基准
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2021-02-12
err14
PREAI
errCasanova-Paez, Marcos; Goerigk, Lars
err分享
err收藏
Global double hybrids do not work for charge transfer: A comment on Double hybrids and time-dependent density functional theory: An implementation and benchmark on charge transfer excited states全局双混合不适用于电荷转移: 对双混合和随时间变化的密度泛函理论的评论: 电荷转移激发态的实现和基准
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2021-01-07
err0
PREAI
errCasanova-Paez, Marcos; Goerigk, Lars
err分享
err收藏
DFT-D4counterparts of leadingmeta-generalized-gradient approximation and hybrid density functionals for energetics and geometries能量学和几何的领先元广义梯度近似和混合密度泛函的DFT-D4counterparts
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2020-09-01
err95
errOAAI
errNajibi, Asim; Goerigk, Lars
err分享
err收藏
Assessing the Tamm-Dancoff approximation, singlet-singlet, and singlet-triplet excitations with the latest long-range corrected double-hybrid density functionals使用最新的长程校正双杂化密度泛函评估tamm-dancoff近似，单重态-单重态和单重态-三重态激发
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-08-12
err64
errOAAI
errCasanova-Paez, Marcos; Goerigk, Lars
err分享
err收藏

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