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

Text availability

Article attribute

Article type

Publication date

Search Results

66 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Results By Year timeline is not available.
Page 1
Molecules in confinement in clusters, quantum solvents and matrices: general discussion.
Bacic Z, Benoit D, Biczysko M, Bowman J, Bradforth S, Burd T, Chambaud G, Clary D, Crépin C, Dracinsky M, Felker P, Fischer I, Gianturco F, Hochlaf M, Kouril K, Kratochvilova I, Liu C, McCoy A, Miyazaki J, Mouhib H, Richardson J, Slaviček P, Stoecklin T, Szalewicz K, van der Avoird A, Zehnacker-Rentien A. Bacic Z, et al. Faraday Discuss. 2018 Dec 13;212(0):569-601. doi: 10.1039/c8fd90053a. Faraday Discuss. 2018. PMID: 30520925 No abstract available.
Electric-dipole-coupled H2O@C60 dimer: Translation-rotation eigenstates from twelve-dimensional quantum calculations.
Felker PM, Bačić Z. Felker PM, et al. Among authors: bacic z. J Chem Phys. 2017 Feb 28;146(8):084303. doi: 10.1063/1.4976526. J Chem Phys. 2017. PMID: 28249422
We consider the TR eigenstates of H(2)O@C(60) monomers in the dimer to be coupled by the electric dipole-dipole interaction between water moieties and develop expressions for computing the matrix elements of that interaction in a dimer basis composed of products of monomer 6D TR …
We consider the TR eigenstates of H(2)O@C(60) monomers in the dimer to be coupled by the electric dipole-dipole interaction between water mo …
Precise characterisation of isolated molecules: general discussion.
Bacic Z, Benoit D, Besemer M, Bowman J, Bradforth S, Clary D, Donovan R, Fischer I, Gianturco F, Hochlaf M, Houston P, Knowles P, Leone S, Linguerri R, Manthe U, McCoy AB, Petersen J, Richardson J, Shan X, Slavíček P, Stoecklin T, Szalewicz K, van der Avoird A, Wester R, Worth G, Zehnacker-Rentien A. Bacic Z, et al. Faraday Discuss. 2018 Dec 13;212(0):137-155. doi: 10.1039/c8fd90050g. Faraday Discuss. 2018. PMID: 30507986 No abstract available.
Flexible water molecule in C60: Intramolecular vibrational frequencies and translation-rotation eigenstates from fully coupled nine-dimensional quantum calculations with small basis sets.
Felker PM, Bačić Z. Felker PM, et al. Among authors: bacic z. J Chem Phys. 2020 Jan 7;152(1):014108. doi: 10.1063/1.5138992. J Chem Phys. 2020. PMID: 31914751
Apart from assuming rigid C(60), this nine-dimensional (9D) quantum treatment is fully coupled. Following the recently introduced approach [P. M. Felker and Z. Bacic, J. Chem. Phys. 151, 024305 (2019)], the full 9D vibrational Hamiltonian of H(2)O@C(60) is partition …
Apart from assuming rigid C(60), this nine-dimensional (9D) quantum treatment is fully coupled. Following the recently introduced approach [ …
66 results