Zobrazeno 1 - 10
of 19
pro vyhledávání: '"Sergey N. Maximoff"'
Autor:
Yezdi B. Pithawalla, M. Samy El-Shall, Sergey P. Fisenko, Weiling Li, David B. Kane, Sergey N. Maximoff, Ali A. Rostami
Publikováno v:
Aerosol Science and Technology. 55:871-885
A mathematical model for the formation of condensation aerosols from highly supersaturated vapor-air mixtures is presented. The model is suitable for systems with very high nucleation rates that re...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ca643750bd47852fcd30a5a496b129d8
https://doi.org/10.1080/02786826.2021.1904130
https://doi.org/10.1080/02786826.2021.1904130
Role of surface phenomena in the reaction of molecular solids: the Diels–Alder reaction on pentacene
Autor:
Haejun Park, Gregory J. Deye, Jonathan P. Hopwood, Selma Piranej, Jean G. Slavsky, Michael A. W. Shelhart Sayers, Jacob W. Ciszek, Sergey N. Maximoff
Publikováno v:
CrystEngComm. 22:4108-4115
Reactivity trends for molecular solids cannot be explained exclusively through the topochemical phenomenon (i.e. diffusivity, reaction cavities) or electronic structure of the molecules. As an example of this class, Diels–Alder reactions of small m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ae4735fa8633e96b5e45251b5fde4c48
https://doi.org/10.1039/d0ce00269k
https://doi.org/10.1039/d0ce00269k
Publikováno v:
Chemosphere. 304:135314
Volatile organic compounds (VOCs) are a significant class of indoor air pollutants and are known for their adverse effects on health. A common strategy to reduce indoor VOC levels is to use sorbents, including activated carbons (ACs). The amount of a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8be95e5515795c0619f5e4a8fd5c0185
https://doi.org/10.1016/j.chemosphere.2022.135314
https://doi.org/10.1016/j.chemosphere.2022.135314
Publikováno v:
Journal of Molecular Structure. 1240:130568
We determined, using single-crystal X-ray diffraction, crystal structures of bis(2-methoxy-3-pyridyl) diselenide and bis(2-methoxy-3-pyridyl) ditelluride. The diselenide crystallizes in the monoclinic system (P21/c), while the ditelluride preferers t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::55ebefd6957e58ece54a7ef22e17824f
https://doi.org/10.1016/j.molstruc.2021.130568
https://doi.org/10.1016/j.molstruc.2021.130568
Autor:
Sergey N. Maximoff
Publikováno v:
The Journal of Physical Chemistry C. 121:2696-2701
The chemicurrent is a flux of energetic charge carriers, which may be observed experimentally within thin metal films in response to an exothermic surface catalytic chemical reaction. This article suggests a picture behind the chemicurrent in hydroge
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f00f72c711ade444a924fe873961a817
https://doi.org/10.1021/acs.jpcc.6b10302
https://doi.org/10.1021/acs.jpcc.6b10302
Publikováno v:
The journal of physical chemistry. B. 121(33)
Human DNA polymerase λ is an intermediate fidelity member of the X family, which plays a role in DNA repair. Recent X-ray diffraction structures of a ternary complex of a loop-deletion mutant of polymerase λ, a deoxyguanosine triphosphate analogue,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3b75a54e27ec8cebc348b245970119cf
https://pubmed.ncbi.nlm.nih.gov/28732447
https://pubmed.ncbi.nlm.nih.gov/28732447
Publikováno v:
Journal of chemical theory and computation. 1(4)
We benchmark the performance of 20 approximate density functionals for the calculation of one-bond carbon-hydrogen NMR spin-spin coupling constants (SSCCs). These functionals range from the simplest local-spin density approximation to novel meta-gene
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a776543d3e1a00ee3a16db1af2248e7a
https://pubmed.ncbi.nlm.nih.gov/26641673
https://pubmed.ncbi.nlm.nih.gov/26641673
Autor:
Rajamani Krishna, Fernande Grandjean, Silvia Bordiga, Leslie J. Murray, Jeffrey R. Long, Sergey N. Maximoff, Craig M. Brown, Berend Smit, Gary J. Long, Julian P. Bigi, Vanessa K. Peterson, Eric D. Bloch, Wendy L. Queen, Sachin Chavan
Publikováno v:
Journal of the American Chemical Society, 133(37), 14814-14822. American Chemical Society
The air-free reaction between FeCl(2) and H(4)dobdc (dobdc(4-) = 2,5-dioxido-1,4-benzenedicarboxylate) in a mixture of N,N-dimethylformamide (DMF) and methanol affords Fe(2)(dobdc)·4DMF, a metal-organic framework adopting the MOF-74 (or CPO-27) stru
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::30270e0aacefb537f019d1448f35f80a
https://doi.org/10.1021/ja205976v
https://doi.org/10.1021/ja205976v
Publikováno v:
Chemical Physics Letters. 390:408-412
Exchange-correlation functionals that depend on the non-interacting kinetic energy density (τ) break gauge invariance in the presence of a magnetic field. This yields incorrect results for molecular magnetic properties. We propose a simple generaliz
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::68b9fcf173b5e3cc3e26848f5af09601
https://doi.org/10.1016/j.cplett.2004.04.049
https://doi.org/10.1016/j.cplett.2004.04.049
Publikováno v:
The Journal of Chemical Physics. 117:3074-3080
We construct exchange energy functionals that depend on the non-interacting square kinetic energy density τ2(r)=14∑k|Δφk(r)|2 rather than the electron density. Since τ2 is a non-local functional of the electron density, it may describe non-loca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::374cce0a1e176e7c9d6f3a1e1658a5f1
https://doi.org/10.1063/1.1489996
https://doi.org/10.1063/1.1489996