Zobrazeno 1 - 10
of 3 442
pro vyhledávání: '"physics.atm-clus"'
Publikováno v:
The Journal of Physical Chemistry A. 127:3757-3767
Irradiation-driven fragmentation and chemical transformations of molecular systems play a key role in nanofabrication processes where organometallic compounds break up due to the irradiation with focused particle beams. In this study, reactive molecu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::66b2fd97846a13a4f828ccd6b29739a3
https://doi.org/10.1021/acs.jpca.2c08756
https://doi.org/10.1021/acs.jpca.2c08756
Publikováno v:
The Journal of Physical Chemistry A. 127:2889-2894
The time development of the excitation energy of molecules and clusters cooling by emission of thermal vibrational infrared radiation has been studied. The energy distributions and the photon emission rates develop into near-universal functions that
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f8e45150d3bc32173d8f1cb87a3e433d
https://doi.org/10.1021/acs.jpca.2c09024
https://doi.org/10.1021/acs.jpca.2c09024
Publikováno v:
The Journal of Physical Chemistry Letters. 14:2518-2525
The Posner molecule (calcium phosphate trimer), has been hypothesized to function as a biological quantum information processor due to its supposedly long-lived entangled $^{31}$P nuclear spin states. This hypothesis was challenged by our recent find
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a5b2cfe0f9f5673bcb768344de87a78c
https://doi.org/10.1021/acs.jpclett.2c03945
https://doi.org/10.1021/acs.jpclett.2c03945
Autor:
Hendzel, Maciej, Spałek, Józef
Publikováno v:
Acta Physica Polonica A. 143:189-194
We analyze two-particle binding factors for the case of \ch{H2} molecule with the help of our original Exact Diagonalization \textit{Ab Intio} (EDABI) approach. Explicitly, we redefine the many-particle covalency and ionicity factors as a function of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fc720ed95dfc51921b12301d906f8e52
https://doi.org/10.12693/aphyspola.143.189
https://doi.org/10.12693/aphyspola.143.189
Publikováno v:
Nanoscale Advances. 5:1722-1728
The on-surface synthesis of nano-graphenes has led the charge in prototyping structures with perspectives beyond silicon-based technology. Following reports of open-shell systems in graphene-nanoribbons (GNR), a flurry of research activities is direc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c61450887016d170f4a6b66d0e990e5e
https://doi.org/10.1039/d2na00668e
https://doi.org/10.1039/d2na00668e
Autor:
García-Alfonso, Ernesto, Ancilotto, Francesco, Barranco, Manuel, Pi, Martí, Halberstadt, Nadine
We address the collision of two superfluid 4 He droplets at non-zero initial relative velocities and impact parameters within the framework of liquid 4 He time-dependent density functional theory at zero temperature. In spite of the small size of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b23f658824c2825a51df565273f363f1
https://hal.science/hal-04146276
https://hal.science/hal-04146276
Publikováno v:
International Journal of Hydrogen Energy. 47:41748-41758
Density functional theory (DFT) can be quite advantageous in advancing the field of catalysis because of the microscopic insights it provides, and thus can guide experimental searches of novel catalysts. Several recent works have demonstrated that lo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9797d0f9eac68ca74f12c3e835861bbc
https://doi.org/10.1016/j.ijhydene.2022.02.161
https://doi.org/10.1016/j.ijhydene.2022.02.161
Publikováno v:
International Journal of Hydrogen Energy. 47:41783-41794
To satisfy rising energy needs and to handle the forthcoming worldwide climate transformation, major research attention has been drawn to environmentally friendly, renewable, and abundant energy resources. Hydrogen plays an ideal and significant role
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c1a94a5bd3c5e3e4689d13f7e16a97d1
https://doi.org/10.1016/j.ijhydene.2022.06.216
https://doi.org/10.1016/j.ijhydene.2022.06.216
Autor:
Philipp D’Astolfo, Xing Wang, Xunshan Liu, Marcin Kisiel, Carl Drechsel, Alexis Baratoff, Ulrich Aschauer, Silvio Decurtins, Shi-Xia Liu, Rémy Pawlak, Ernst Meyer
Publikováno v:
ACS nano. 16(10)
Crystalline nanoporous molecular networks are assembled on the Ag(111) surface, where the pores confine electrons originating from the surface state of the metal. Depending on the pore sizes and their coupling, an antibonding level is shifted upwards
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f86f2964b0418da7b5e60d722bc2eb95
https://pubmed.ncbi.nlm.nih.gov/36150702
https://pubmed.ncbi.nlm.nih.gov/36150702
Autor:
Ilyushin, V. V., Müller, H. S. P., Jørgensen, J. K., Bauerecker, S., Maul, C., Porohovoi, R., Alekseev, E. A., Dorovskaya, O., Lewen, F., Schlemmer, S., Lees, R. M.
Solar-type prestellar cores and protostars display large amounts of deuterated organic molecules. Recent findings on CHD$_2$OH and CD$_3$OH toward IRAS 16293-2422 suggest that even fully deuterated methanol, CD$_3$OD, may be detectable as well. Howev
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::23fe3a9062531d3a5a88a39b245b2a5b
http://arxiv.org/abs/2307.07801
http://arxiv.org/abs/2307.07801