Zobrazeno 1 - 10
of 2 023
pro vyhledávání: '"R. MOBERG"'
Autor:
Ahren W. Jasper, Daniel R. Moberg, Yujie Tao, Stephen J. Klippenstein, Raghu Sivaramakrishnan
Publikováno v:
Frontiers in Physics, Vol 10 (2022)
Quasiclassical trajectories (QCT) and newly constructed global potential energy surfaces are used to compute thermal and nonthermal rate constants for the H + HO2 reaction. The thermal QCTs rate constants are up to 50% smaller than transition state t
Externí odkaz:
https://doaj.org/article/317020ce94524cab86f742097a585a58
Publikováno v:
Acta Botanica Hungarica. 64:417-450
Altogether 322 taxa of lichens and lichenicolous fungi are reported from Ecuador of which many are probably new records for the country. These include five species which are described as new to science: Bacidia andina, Bacidina pulverula, Distopyreni
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::969f63c16b1003d5906e54556bdba8c8
https://doi.org/10.1556/034.64.2022.3-4.13
https://doi.org/10.1556/034.64.2022.3-4.13
Autor:
Almborn, O.
Publikováno v:
Taxon, 1983 May 01. 32(2), 333-333.
Externí odkaz:
https://www.jstor.org/stable/1222010
Akademický článek
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Publikováno v:
The journal of physical chemistry letters. 12(37)
Potential energy surfaces fit with basis set expansions have been shown to provide accurate representations of electronic energies and have enabled a variety of high-accuracy dynamics, kinetics, and spectroscopy applications. The number of terms in t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0d0c11f3842cff4a41e5fb5ae8396b98
https://pubmed.ncbi.nlm.nih.gov/34525799
https://pubmed.ncbi.nlm.nih.gov/34525799
Autor:
Ahren W. Jasper, Daniel R. Moberg
Publikováno v:
Journal of chemical theory and computation. 17(9)
A general strategy is presented for constructing and validating permutationally invariant polynomial (PIP) expansions for chemical systems of any stoichiometry. Demonstrations are made for three categories of gas-phase dynamics and kinetics: collisio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2d142f51d4be53fdd342b210ec1b03ce
https://pubmed.ncbi.nlm.nih.gov/34469127
https://pubmed.ncbi.nlm.nih.gov/34469127
Autor:
Udo Buck, Daniel R. Moberg, Thomas Zeuch, Florian Zurheide, Christoph W. Dierking, Francesco Paesani, Valeria Molinero, Daniel Becker, Bernhard Bandow, Arpa Hudait
Publikováno v:
Proceedings of the National Academy of Sciences. 116:24413-24419
Significance How small can a water cluster be and still stabilize ice I, the macroscopic crystal polymorph? What is the nature of coexistence between ice and liquid in small clusters? In this work, we show that the smallest water clusters that can su
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d63edc725edaa816110d001a24a1f746
https://doi.org/10.1073/pnas.1914254116
https://doi.org/10.1073/pnas.1914254116
Publikováno v:
The Journal of Physical Chemistry B. 122:10572-10581
We build on results from our previous investigation into ice Ih using a combination of classical many-body molecular dynamics (MB-MD) and normal mode (NM) calculations to obtain molecular-level inf...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::60565bda90e96675a9f5c27fe5a87b1d
https://doi.org/10.1021/acs.jpcb.8b08380
https://doi.org/10.1021/acs.jpcb.8b08380
Autor:
A. P. Dold, R. Moberg
Publikováno v:
Bothalia: African Biodiversity & Conservation, Vol 30, Iss 1, Pp 46-48 (2000)
CORRECTION OF A HISTORICAL ERROR IN THE TAXONOMIC DESCRIPTION OF URGINEA CILIATA
Externí odkaz:
https://doaj.org/article/f9bdfca9f5d8491085201b99e8751462
Autor:
Shumei Sun, Francesco Paesani, Daniel R. Moberg, Yuki Nagata, Sho Imoto, Mischa Bonn, Ellen H. G. Backus, Tatsuhiko Ohto, Fujie Tang
Publikováno v:
Physical Review Letters, 123(9):099602. American Physical Society
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::78e096d7f8cf554f0ed90aa098b3ed49
https://dare.uva.nl/personal/pure/en/publications/sun-et-al-reply(e60dba15-7f04-4de3-84c3-3d8e19ba2b02).html
https://dare.uva.nl/personal/pure/en/publications/sun-et-al-reply(e60dba15-7f04-4de3-84c3-3d8e19ba2b02).html