Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My NCBI Filters

Results by year

Table representation of search results timeline featuring number of search results per year.

Year Number of Results
1993 1
1997 1
2000 1
2001 1
2002 1
2003 1
2004 1
2005 2
2006 3
2008 3
2009 1
2010 3
2011 1
2012 1
2013 3
2015 2
2016 2
2019 1
2020 1
2021 1
2023 1
2024 1

Text availability

Article attribute

Article type

Publication date

Search Results

31 results

Results by year

Filters applied: . Clear all
Your search was processed without automatic term mapping because it retrieved zero results.
Page 1
Triradicals.
Krylov AI. Krylov AI. J Phys Chem A. 2005 Dec 1;109(47):10638-45. doi: 10.1021/jp0528212. J Phys Chem A. 2005. PMID: 16863112
The structural signature of these bonds is shorter distances between the radical centers relative to the closed-shell precursors. Depending on the nature of triradical's molecular orbitals, the ground state in these species varies from quartet, to closed- or open-shell dou …
The structural signature of these bonds is shorter distances between the radical centers relative to the closed-shell precursors. Depending …
Toward an automated workflow for the study of plasma protein-drug interactions based on capillary electrophoresis-frontal analysis combined with in-capillary mixing of interacting partners.
Michalcová L, Nevídalová H, Glatz Z. Michalcová L, et al. J Chromatogr A. 2021 Jan 4;1635:461734. doi: 10.1016/j.chroma.2020.461734. Epub 2020 Nov 19. J Chromatogr A. 2021. PMID: 33264700
The in-capillary mixing is based on the transverse diffusion of laminar flow profile methodology introduced by Krylov et al. using its multi-zone injection modification presented by Reminek at al.. Actually, after the method optimization, the alternate introduction of six …
The in-capillary mixing is based on the transverse diffusion of laminar flow profile methodology introduced by Krylov et al. using it …
Proton transfer in nucleobases is mediated by water.
Khistyaev K, Golan A, Bravaya KB, Orms N, Krylov AI, Ahmed M. Khistyaev K, et al. J Phys Chem A. 2013 Aug 8;117(31):6789-97. doi: 10.1021/jp406029p. Epub 2013 Jul 25. J Phys Chem A. 2013. PMID: 23805987
Prosocial motives underlie scientific censorship by scientists: A perspective and research agenda.
Clark CJ, Jussim L, Frey K, Stevens ST, Al-Gharbi M, Aquino K, Bailey JM, Barbaro N, Baumeister RF, Bleske-Rechek A, Buss D, Ceci S, Del Giudice M, Ditto PH, Forgas JP, Geary DC, Geher G, Haider S, Honeycutt N, Joshi H, Krylov AI, Loftus E, Loury G, Lu L, Macy M, Martin CC, McWhorter J, Miller G, Paresky P, Pinker S, Reilly W, Salmon C, Stewart-Williams S, Tetlock PE, Williams WM, Wilson AE, Winegard BM, Yancey G, von Hippel W. Clark CJ, et al. Proc Natl Acad Sci U S A. 2023 Nov 28;120(48):e2301642120. doi: 10.1073/pnas.2301642120. Epub 2023 Nov 20. Proc Natl Acad Sci U S A. 2023. PMID: 37983511 Free PMC article.
Science is among humanity's greatest achievements, yet scientific censorship is rarely studied empirically. ...
Science is among humanity's greatest achievements, yet scientific censorship is rarely studied empirically. ...
Unrestricted prescriptions for open-shell singlet diradicals: using economical ab initio and density functional theory to calculate singlet-triplet gaps and bond dissociation curves.
Ess DH, Cook TC. Ess DH, et al. J Phys Chem A. 2012 May 24;116(20):4922-9. doi: 10.1021/jp300633j. Epub 2012 May 11. J Phys Chem A. 2012. PMID: 22578025
Here we present and test several computational prescriptions for calculating singlet-triplet (ST) gap energies and bond dissociation curves for open-shell singlet diradicals using economical unrestricted single reference type calculations. For ST gap energies from Slipchenko and …
Here we present and test several computational prescriptions for calculating singlet-triplet (ST) gap energies and bond dissociation curves …
On the electronically excited states of uracil.
Epifanovsky E, Kowalski K, Fan PD, Valiev M, Matsika S, Krylov AI. Epifanovsky E, et al. J Phys Chem A. 2008 Oct 9;112(40):9983-92. doi: 10.1021/jp803758q. J Phys Chem A. 2008. PMID: 18771247
On the photodetachment from the green fluorescent protein chromophore.
Bravaya KB, Krylov AI. Bravaya KB, et al. J Phys Chem A. 2013 Nov 21;117(46):11815-22. doi: 10.1021/jp4028904. Epub 2013 May 24. J Phys Chem A. 2013. PMID: 23662849
At least aug-cc-pVTZ basis set is required. The best omegaB97X-D and CCSD(T) estimates of phenolate's adiabatic detachment energy are 2.12 and 2.19 eV; these values are very close to the experimental value, 2.253 eV [Gunion et al. ...
At least aug-cc-pVTZ basis set is required. The best omegaB97X-D and CCSD(T) estimates of phenolate's adiabatic detachment energy are …
31 results