Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Meenu, Upadhyay"'
Autor:
Meenu Upadhyay, Markus Meuwly
Publikováno v:
Frontiers in Chemistry, Vol 9 (2022)
The formation of molecules in and on amorphous solid water (ASW) as it occurs in interstellar space releases appreciable amounts of energy that need to be dissipated to the environment. Here, energy transfer between CO2 formed within and on the surfa
Externí odkaz:
https://doaj.org/article/2bf97a17b09648498859aa98f11af8ed
Autor:
Baruch Margulis, Karl P. Horn, Daniel M. Reich, Meenu Upadhyay, Nitzan Kahn, Arthur Christianen, Ad van der Avoird, Gerrit C. Groenenboom, Christiane P. Koch, Markus Meuwly, Edvardas Narevicius
Publikováno v:
Science, 380, 77-81
Science, 380, 6640, pp. 77-81
Science, 380, 6640, pp. 77-81
Feshbach resonances are fundamental to interparticle interactions and become particularly important in cold collisions with atoms, ions, and molecules. In this work, we present the detection of Feshbach resonances in a benchmark system for strongly i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::53fb508a26391d8bb37fe8e513774e43
http://hdl.handle.net/2066/293183
http://hdl.handle.net/2066/293183
Autor:
Sugata, Goswami, Juan Carlos, San Vicente Veliz, Meenu, Upadhyay, Raymond J, Bemish, Markus, Meuwly
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(38)
The dynamics of the C(
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::2bc848e60b1246046a754b0835736ce9
https://pubmed.ncbi.nlm.nih.gov/36165004
https://pubmed.ncbi.nlm.nih.gov/36165004
Publikováno v:
The Journal of Physical Chemistry Letters. 12:6781-6787
Understanding the formation of molecules under conditions relevant to interstellar chemistry is fundamental to characterize the chemical evolution of the universe. Using reactive molecular dynamics simulations with model-based or high-quality potenti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::326900da08753eef5372ff639a164209
https://doi.org/10.1021/acs.jpclett.1c01810
https://doi.org/10.1021/acs.jpclett.1c01810
Publikováno v:
The journal of physical chemistry letters. 12(29)
Understanding the formation of molecules under conditions relevant to interstellar chemistry is fundamental to characterize the chemical evolution of the universe. Using reactive molecular dynamics simulations with model-based or high-quality potenti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::aa2cdc65c2a48ae905a66f22ac8c0549
https://pubmed.ncbi.nlm.nih.gov/34270244
https://pubmed.ncbi.nlm.nih.gov/34270244
Publikováno v:
Journal of chemical theory and computation. 17(6)
The calculation of the anharmonic modes of small- to medium-sized molecules for assigning experimentally measured frequencies to the corresponding type of molecular motions is computationally challenging at sufficiently high levels of quantum chemica
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e5659b87ede5ac8a5c83983bd6b93e9c
https://pubmed.ncbi.nlm.nih.gov/33960787
https://pubmed.ncbi.nlm.nih.gov/33960787
Autor:
Brendan C, Sweeny, Hanqing, Pan, Asmaa, Kassem, Jordan C, Sawyer, Shaun G, Ard, Nicholas S, Shuman, Albert A, Viggiano, Sebastian, Brickel, Oliver T, Unke, Meenu, Upadhyay, Markus, Meuwly
Publikováno v:
Physical chemistry chemical physics : PCCP. 22(16)
The kinetics of MgO+ + CH4 was studied experimentally using the variable ion source, temperature adjustable selected ion flow tube (VISTA-SIFT) apparatus from 300-600 K and computationally by running and analyzing reactive atomistic simulations. Rate
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::b32141321813dc75e26dec89d0dacce4
https://pubmed.ncbi.nlm.nih.gov/32292975
https://pubmed.ncbi.nlm.nih.gov/32292975
Autor:
Brendan C. Sweeny, Hanqing Pan, Oliver T. Unke, Jordan C. Sawyer, Asmaa Kassem, Nicholas S. Shuman, Albert A. Viggiano, Shaun G. Ard, Meenu Upadhyay, Sebastian Brickel, Markus Meuwly
The kinetics of MgO + + CH 4 was studied experimentally using the variable ion source, temperature adjustable selected ion flow tube (VISTA-SIFT) apparatus from 300 − 600 K and computationally by running and analyzing reactive atomistic simula- tio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2227439787e0124b6166666ec5797133
Autor:
Sugata Goswami, Juan Carlos San Vicente Veliz, Meenu Upadhyay, Raymond J. Bemish, Markus Meuwly
Publikováno v:
Physical Chemistry Chemical Physics
The dynamics of the C(3P) + O2(3Σ−g) → CO(1Σ+) + O(1D) reaction on its electronic ground state is investigated by using time-dependent wave packet propagation (TDWP) and quasi-classical trajectory (QCT) simulations.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::de4e2b2bf995d2df7592223b05b21a3c