Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My NCBI Filters

Results by year

Table representation of search results timeline featuring number of search results per year.

Year Number of Results
1956 1
2011 1
2012 1
2021 1
2023 1
2024 1

Text availability

Article attribute

Article type

Publication date

Search Results

4 results

Results by year

Filters applied: . Clear all
The following term was not found in PubMed: Endijs
Page 1
Did you mean endows bader (11 results)?
TWOE Code: An Efficient Tool for Explicit Partition of Coupled Cluster and Configuration Interaction Energies into Atomic and Diatomic Contributions.
Polestshuk P. Polestshuk P. J Phys Chem A. 2021 Apr 22;125(15):3198-3207. doi: 10.1021/acs.jpca.1c00675. Epub 2021 Apr 13. J Phys Chem A. 2021. PMID: 33848147
Two schemes were employed for atomic partition of molecules: the Baders approach and planes dissection. Influence of dynamical correlation effects on atomic energy components was analyzed in detail. ...
Two schemes were employed for atomic partition of molecules: the Baders approach and planes dissection. Influence of dynamical correl …
Experimental and Theoretical Survey of Intramolecular Spodium Bonds/σ/π-Holes and Noncovalent Interactions in Trinuclear Zn(II)-Salen Type Complex with OCN- Ions: A Holistic View in Crystal Engineering.
Majumdar D, Frontera A, Roy S, Sutradhar D. Majumdar D, et al. ACS Omega. 2023 Dec 19;9(1):1786-1797. doi: 10.1021/acsomega.3c08422. eCollection 2024 Jan 9. ACS Omega. 2023. PMID: 38222609 Free PMC article.
These noncovalent interactions have been thoroughly studied using density functional theory calculations at the RI-BP86[2]-D3[3]/def2-TZVP level of theory that characterizes the nature of SpBs, including the Baders quantum theory of atoms-in-molecules "QTAIM", molecular el …
These noncovalent interactions have been thoroughly studied using density functional theory calculations at the RI-BP86[2]-D3[3]/def2-TZVP l …
Structural and electronic properties of Z isomers of (4α→6´´,2α→O→1´´)-phenylflavans substituted with R = H, OH and OCH₃ calculated in aqueous solution with PCM solvation model.
Lobayan RM, Bentz EN, Jubert AH, Pomilio AB. Lobayan RM, et al. J Mol Model. 2012 Apr;18(4):1667-76. doi: 10.1007/s00894-011-1188-z. Epub 2011 Aug 3. J Mol Model. 2012. PMID: 21811777
Electronic distributions were analyzed at a better calculation level, thus improving the basis set (6-311++G). A topological study based on Baders theory (atoms in molecules) and natural bond orbital (NBO) framework was performed. ...
Electronic distributions were analyzed at a better calculation level, thus improving the basis set (6-311++G). A topological study based on …