Zobrazeno 1 - 10
of 684
pro vyhledávání: '"Pavel Hobza"'
Autor:
Rabindranath Lo, Debashree Manna, Maximilián Lamanec, Martin Dračínský, Petr Bouř, Tao Wu, Guillaume Bastien, Jiří Kaleta, Vijay Madhav Miriyala, Vladimír Špirko, Anna Mašínová, Dana Nachtigallová, Pavel Hobza
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-7 (2022)
Non covalent complexes are often considerably destabilized in the solvent. Here the authors combine vibrational Raman and NMR spectroscopy with a coupled-cluster computational investigation to show that the solvent polarity enhance the complex stabil
Externí odkaz:
https://doaj.org/article/f934991a34eb4a149fc6d2da128da92e
Autor:
Bruno de la Torre, Martin Švec, Prokop Hapala, Jesus Redondo, Ondřej Krejčí, Rabindranath Lo, Debashree Manna, Amrit Sarmah, Dana Nachtigallová, Jiří Tuček, Piotr Błoński, Michal Otyepka, Radek Zbořil, Pavel Hobza, Pavel Jelínek
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-9 (2018)
Molecules can change their electronic properties when they are adsorbed on substrates, which can be useful for sensing and catalysis. Here, the authors use atomic force microscopy to show that the spin state of an iron complex can be changed upon dis
Externí odkaz:
https://doaj.org/article/27c0274e844b43339e843db47d211846
Autor:
Chuandong Jia, Wei Zuo, Dong Yang, Yanming Chen, Liping Cao, Radu Custelcean, Jiří Hostaš, Pavel Hobza, Robert Glaser, Yao-Yu Wang, Xiao-Juan Yang, Biao Wu
Publikováno v:
Nature Communications, Vol 8, Iss 1, Pp 1-8 (2017)
The choline-binding protein ChoX exhibits a synergistic dual-site binding mode that allows it to discriminate choline over structural analogues. Here, the authors design a biomimetic triple anion helicate receptor whose selectivity for choline arises
Externí odkaz:
https://doaj.org/article/a00ae0061f674f4880e6a5d81d7d050f
Autor:
Haresh Ajani, Adam Pecina, Saltuk M. Eyrilmez, Jindřich Fanfrlík, Susanta Haldar, Jan Řezáč, Pavel Hobza, Martin Lepšík
Publikováno v:
ACS Omega, Vol 2, Iss 7, Pp 4022-4029 (2017)
Externí odkaz:
https://doaj.org/article/7a99820a4bb542748f3b81fb8c367007
Publikováno v:
Molecules, Vol 24, Iss 14, p 2657 (2019)
Chalcogen atoms are a class of substituents capable of generating inner and outer derivatives of boron clusters. It is well known that chalcogenated boron clusters can form strong σ-hole interactions when a chalcogen atom is a part of an icosahedron
Externí odkaz:
https://doaj.org/article/9c9bb5f0e96e4e299db805dcc81a0901
Publikováno v:
Crystals, Vol 7, Iss 7, p 225 (2017)
Boron and arsenic triiodides (BI3 and AsI3, respectively) are similar molecules that differ mainly in their geometries. BI3 is a planar trigonal molecule with D3h symmetry, while AsI3 exhibits a trigonal pyramidal shape with C3v symmetry. Consequentl
Externí odkaz:
https://doaj.org/article/efd8bfbb7476482d853e310cf07bf73d
Publikováno v:
The Journal of Physical Chemistry A. 126:7938-7943
It is generally assumed that hydrogen-bonded complexes are less stable in solvents than in the gas phase and that their stability decreases with increasing solvent polarity. This assumption is based on the size of the area available to the solvent, w
Publikováno v:
Chemistry – A European Journal.
Autor:
Pavel Jelinek, Benjamin Mallada, Martin Ondracek, Maximilián Lamanec, Aurelio Gallardo, Alejandro Jiménez-Martín, Bruno de la Torre, Pavel Hobza
Submolecular charge distribution significantly affects the physical-chemical properties of molecules and their mutual interaction. One example is the presence of a π-electron-deficient cavity in halogen-substituted polyaromatic hydrocarbon compounds
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f48509df41b43e68efd82a9cd62e59e5
https://doi.org/10.21203/rs.3.rs-2743955/v1
https://doi.org/10.21203/rs.3.rs-2743955/v1
Autor:
Svatopluk Civiš, Maximilián Lamanec, Vladimír Špirko, Jiří Kubišta, Matej Špet’ko, Pavel Hobza
Publikováno v:
Journal of the American Chemical Society.