Results 51 to 60 of about 203,361 (319)

The quantum vibes of atoms and ichthyosaurs [PDF]

Muzikologija, 2018
The quantum mechanical description of microscopic phenomena treats minuscule particles as waves and explains why atoms and molecules absorb and emit radiation at particular frequencies.
Mølmer Klaus
doaj   +1 more source

Pfaffian-like ground states for bosonic atoms and molecules in one-dimensional optical lattices [PDF]

, 2016
We study ground states and elementary excitations of a system of bosonic atoms and diatomic Feshbach molecules trapped in a one-dimensional optical lattice using exact diagonalization and variational Monte Carlo methods. We primarily study the case of an
Chancellor, Nicholas, Crowley, Philip J. D., Di Cintio, Pierfrancesco, Duric, Tanja, Green, Andrew G.   +4 more
core   +2 more sources

The nature of halogen bonding: insights from interacting quantum atoms and source function studies

IUCrJ
A detailed study of the X...N (X = I, Br) halogen bonds in complexes formed by an extended set of substituted pyridines with D—X molecules (D = X, CN) is reported here.
Arianna Pisati, Alessandra Forni, Stefano Pieraccini, Maurizio Sironi   +3 more
doaj   +1 more source

STERIC EFFECT IN DIFLUORINEALCANE MOLECULES

Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2019
Fifteen conformers of the CHF2 – (CH2)6 – CH3 molecule were found. Within a «quantum theory of atoms in molecules», their equilibrium geometry, total energies and the electron structure were studied.
A.V. Kotomkin, N.P. Rusakova, V.V. Turovtsev, Yu.D. Orlov   +3 more
doaj   +1 more source

Creation of ultracold molecules from a Fermi gas of atoms

, 2003
Since the realization of Bose-Einstein condensates (BEC) in atomic gases an experimental challenge has been the production of molecular gases in the quantum regime. A promising approach is to create the molecular gas directly from an ultracold atomic gas;
B DeMarco, CA Regal, Christopher Ticknor, Cindy A. Regal, Deborah S. Jin, E Tiesinga, E Timmermans, E Timmermans, EA Donley, FA Abeelen, FH Mies, H Feshbach, J Stenger, John L. Bohn, K Dieckmann, KG Petrosyan, KM O'Hara, KM O'Hara, LB Ratcliff, M Holland, N Balakrishnan, P Soldán, P Torma, R Wynar, RC Forrey, S Inouye, SL Cornish, T Loftus, WC Stwalley   +28 more
core   +1 more source

On the Importance of Halogen Bonding Interactions in Two X-ray Structures Containing All Four (F, Cl, Br, I) Halogen Atoms

Crystals, 2021
This manuscript reports the synthesis and X-ray characterization of two octahydro-1H-4,6-epoxycyclopenta[c]pyridin-1-one derivatives that contain the four most abundant halogen atoms (Ha) in the structure with the aim of studying the formation of Ha···Ha
Dmitriy F. Mertsalov, Rosa M. Gomila, Vladimir P. Zaytsev, Mikhail S. Grigoriev, Eugeniya V. Nikitina, Fedor I. Zubkov, Antonio Frontera   +6 more
doaj   +1 more source

The atomic orbitals of the topological atom [PDF]

, 2013
The effective atomic orbitals have been realized in the framework of Bader’s atoms in molecules theory for a general wavefunction. This formalism can be used to retrieve from any type of calculation a proper set of orthonormalized numerical atomic ...
Bader R. F. W., Eloy Ramos-Cordoba, István Mayer, Karadakov P., Pedro Salvador   +4 more
core   +1 more source

Cooperation of Peripheral Hydrogen Atoms for the Stabilization of Aachno-pentaborane (11) with Small Molecules: Hydrogen Bonds and Dihydrogen Bonds

Orbital: The Electronic Journal of Chemistry, 2023
Post-Hartree-Fock calculations performed at the MP2/aug-cc-pVDZ level of theory has been used to analyze the formation of intermolecular complexes between B5H11 and W = CO, NCH, NH3, H2O or HOCH3.
Maryam Salehnassaj, Mohsen Nikoorazm, Abedien Zabardasti, Hamid Goudarziafshar, Boaz Galdino Oliveira   +4 more
doaj   +1 more source

Ultracold spin-polarized mixtures of 2Sigma molecules with S-state atoms: Collisional stability and implications for sympathetic cooling

, 2011
The prospects of sympathetic cooling of polar molecules with magnetically co-trapped alkali-metal atoms are generally considered poor due to strongly anisotropic atom-molecule interactions leading to large spin relaxation rates.
Buchachenko, A. A., Klos, J., Tscherbul, T. V.   +2 more
core   +1 more source

Quantum-mechanical calculation of the structural and energetic characteristics of the fluorinealcanes

Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2023
Within the «quantum theory of atoms in molecules» the charge q and volume V of topological atoms A and atomic groups R of fluorinated molecules of ethanes C2HmFk, where 0 ≤ m, k ≤ 6 and m+k = 6 and propanes C3HmFk, where 0 ≤ m, k ≤ 8, m+k = 8, has been
A.V. Kotomkin, Yu.D. Orlov
doaj   +1 more source