Neese F - Search Results

1

Extended Active Space Ab Initio Ligand Field Theory: Applications to Transition-Metal Ions.

Rao SV, Maganas D, Sivalingam K, Atanasov M, Neese F. Rao SV, et al. Among authors: neese f. Inorg Chem. 2024 Dec 18. doi: 10.1021/acs.inorgchem.4c03893. Online ahead of print. Inorg Chem. 2024. PMID: 39696909

2

Restricted open-shell configuration interaction cluster calculations of the L-edge X-ray absorption study of TiO(2) and CaF(2) solids.

Maganas D, DeBeer S, Neese F. Maganas D, et al. Among authors: neese f. Inorg Chem. 2014 Jul 7;53(13):6374-85. doi: 10.1021/ic500197v. Epub 2014 May 28. Inorg Chem. 2014. PMID: 24871209

3

Magnetic Transitions in Iron Porphyrin Halides by Inelastic Neutron Scattering and Ab Initio Studies of Zero-Field Splittings.

Stavretis SE, Atanasov M, Podlesnyak AA, Hunter SC, Neese F, Xue ZL. Stavretis SE, et al. Among authors: neese f. Inorg Chem. 2015 Oct 19;54(20):9790-801. doi: 10.1021/acs.inorgchem.5b01505. Epub 2015 Oct 2. Inorg Chem. 2015. PMID: 26428688

4

Magneto-Structural Correlations in a Series of Pseudotetrahedral [Co(II)(XR)4](2-) Single Molecule Magnets: An ab Initio Ligand Field Study.

Suturina EA, Maganas D, Bill E, Atanasov M, Neese F. Suturina EA, et al. Among authors: neese f. Inorg Chem. 2015 Oct 19;54(20):9948-61. doi: 10.1021/acs.inorgchem.5b01706. Epub 2015 Oct 7. Inorg Chem. 2015. PMID: 26443918

5

Periodic Trends in Lanthanide Compounds through the Eyes of Multireference ab Initio Theory.

Aravena D, Atanasov M, Neese F. Aravena D, et al. Among authors: neese f. Inorg Chem. 2016 May 2;55(9):4457-69. doi: 10.1021/acs.inorgchem.6b00244. Epub 2016 Apr 7. Inorg Chem. 2016. PMID: 27054547

6

Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)₄]^2- Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations.

Suturina EA, Nehrkorn J, Zadrozny JM, Liu J, Atanasov M, Weyhermüller T, Maganas D, Hill S, Schnegg A, Bill E, Long JR, Neese F. Suturina EA, et al. Among authors: neese f. Inorg Chem. 2017 Mar 6;56(5):3102-3118. doi: 10.1021/acs.inorgchem.7b00097. Epub 2017 Feb 22. Inorg Chem. 2017. PMID: 28225611

7

Ab Initio Ligand-Field Theory Analysis and Covalency Trends in Actinide and Lanthanide Free Ions and Octahedral Complexes.

Jung J, Atanasov M, Neese F. Jung J, et al. Among authors: neese f. Inorg Chem. 2017 Aug 7;56(15):8802-8816. doi: 10.1021/acs.inorgchem.7b00642. Epub 2017 Jul 14. Inorg Chem. 2017. PMID: 28708410

8

A Restricted Open Configuration Interaction with Singles Method To Calculate Valence-to-Core Resonant X-ray Emission Spectra: A Case Study.

Maganas D, DeBeer S, Neese F. Maganas D, et al. Among authors: neese f. Inorg Chem. 2017 Oct 2;56(19):11819-11836. doi: 10.1021/acs.inorgchem.7b01810. Epub 2017 Sep 18. Inorg Chem. 2017. PMID: 28920680 Free PMC article.

9

Investigations of the Magnetic and Spectroscopic Properties of V(III) and V(IV) Complexes.

Van Stappen C, Maganas D, DeBeer S, Bill E, Neese F. Van Stappen C, et al. Among authors: neese f. Inorg Chem. 2018 Jun 4;57(11):6421-6438. doi: 10.1021/acs.inorgchem.8b00486. Epub 2018 May 23. Inorg Chem. 2018. PMID: 29791147

10

Improvement of Ab Initio Ligand Field Theory by Means of Multistate Perturbation Theory.

Lang L, Atanasov M, Neese F. Lang L, et al. Among authors: neese f. J Phys Chem A. 2020 Feb 6;124(5):1025-1037. doi: 10.1021/acs.jpca.9b11227. Epub 2020 Jan 24. J Phys Chem A. 2020. PMID: 31977214 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

544 results

Search Page

Filters