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Embracing local suppression and enhancement of dynamic correlation effects in a CASΠDFT method for efficient description of excited states.

Faraday discussions

Pernal K, Gritsenko OV.
PMID: 32945307
Faraday Discuss. 2020 Dec 04;224:333-347. doi: 10.1039/d0fd00050g.

The recently proposed CASΠDFT method combines the reliable description of nondynamic electron correlation with the complete active space (CAS) wavefunction and the efficient treatment of dynamic correlation by density functional theory (DFT). This marriage is accomplished by adopting the...

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Pernal K, Gritsenko OV. Embracing local suppression and enhancement of dynamic correlation effects in a CASΠDFT method for efficient description of excited states. Faraday Discuss. 2020;224:333-347doi: 10.1039/d0fd00050g.
Pernal, K., & Gritsenko, O. V. (2020). Embracing local suppression and enhancement of dynamic correlation effects in a CASΠDFT method for efficient description of excited states. Faraday discussions, 224333-347. https://doi.org/10.1039/d0fd00050g
Pernal, Katarzyna, and Gritsenko, Oleg V. "Embracing local suppression and enhancement of dynamic correlation effects in a CASΠDFT method for efficient description of excited states." Faraday discussions vol. 224 (2020): 333-347. doi: https://doi.org/10.1039/d0fd00050g
Pernal K, Gritsenko OV. Embracing local suppression and enhancement of dynamic correlation effects in a CASΠDFT method for efficient description of excited states. Faraday Discuss. 2020 Dec 04;224:333-347. doi: 10.1039/d0fd00050g. PMID: 32945307.
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Charge transport mechanism in the forming-free memristor based on silicon nitride.

Scientific reports

Gismatulin AA, Kamaev GN, Kruchinin VN, Gritsenko VA, Orlov OM, Chin A.
PMID: 33510310
Sci Rep. 2021 Jan 28;11(1):2417. doi: 10.1038/s41598-021-82159-7.

Nonstoichiometric silicon nitride SiN

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Gismatulin AA, Kamaev GN, Kruchinin VN, et al. Charge transport mechanism in the forming-free memristor based on silicon nitride. Sci Rep. 2021;11(1):2417doi: 10.1038/s41598-021-82159-7.
Gismatulin, A. A., Kamaev, G. N., Kruchinin, V. N., Gritsenko, V. A., Orlov, O. M., & Chin, A. (2021). Charge transport mechanism in the forming-free memristor based on silicon nitride. Scientific reports, 11(1), 2417. https://doi.org/10.1038/s41598-021-82159-7
Gismatulin, Andrei A, et al. "Charge transport mechanism in the forming-free memristor based on silicon nitride." Scientific reports vol. 11,1 (2021): 2417. doi: https://doi.org/10.1038/s41598-021-82159-7
Gismatulin AA, Kamaev GN, Kruchinin VN, Gritsenko VA, Orlov OM, Chin A. Charge transport mechanism in the forming-free memristor based on silicon nitride. Sci Rep. 2021 Jan 28;11(1):2417. doi: 10.1038/s41598-021-82159-7. PMID: 33510310; PMCID: PMC7843651.
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Corrigendum: Priming Is Dispensable for NLRP3 Inflammasome Activation in Human Monocytes .

Frontiers in immunology

Gritsenko A, Yu S, Martin-Sanchez F, Diaz-Del-Olmo I, Nichols EM, Davis DM, Brough D, Lopez-Castejon G.
PMID: 34589091
Front Immunol. 2021 Sep 13;12:763899. doi: 10.3389/fimmu.2021.763899. eCollection 2021.

[This corrects the article DOI: 10.3389/fimmu.2020.565924.].

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Gritsenko A, Yu S, Martin-Sanchez F, et al. Corrigendum: Priming Is Dispensable for NLRP3 Inflammasome Activation in Human Monocytes . Front Immunol. 2021;12:763899doi: 10.3389/fimmu.2021.763899.
Gritsenko, A., Yu, S., Martin-Sanchez, F., Diaz-Del-Olmo, I., Nichols, E. M., Davis, D. M., Brough, D., & Lopez-Castejon, G. (2021). Corrigendum: Priming Is Dispensable for NLRP3 Inflammasome Activation in Human Monocytes . Frontiers in immunology, 12763899. https://doi.org/10.3389/fimmu.2021.763899
Gritsenko, Anna, et al. "Corrigendum: Priming Is Dispensable for NLRP3 Inflammasome Activation in Human Monocytes ." Frontiers in immunology vol. 12 (2021): 763899. doi: https://doi.org/10.3389/fimmu.2021.763899
Gritsenko A, Yu S, Martin-Sanchez F, Diaz-Del-Olmo I, Nichols EM, Davis DM, Brough D, Lopez-Castejon G. Corrigendum: Priming Is Dispensable for NLRP3 Inflammasome Activation in Human Monocytes . Front Immunol. 2021 Sep 13;12:763899. doi: 10.3389/fimmu.2021.763899. eCollection 2021. PMID: 34589091; PMCID: PMC8474018.
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Gut Microbiota as a Mediator of Essential and Toxic Effects of Zinc in the Intestines and Other Tissues.

International journal of molecular sciences

Skalny AV, Aschner M, Lei XG, Gritsenko VA, Santamaria A, Alekseenko SI, Prakash NT, Chang JS, Sizova EA, Chao JCJ, Aaseth J, Tinkov AA.
PMID: 34884881
Int J Mol Sci. 2021 Dec 03;22(23). doi: 10.3390/ijms222313074.

The objective of the present study was to review the existing data on the association between Zn status and characteristics of gut microbiota in various organisms and the potential role of Zn-induced microbiota in modulating systemic effects. The existing...

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Skalny AV, Aschner M, Lei XG, et al. Gut Microbiota as a Mediator of Essential and Toxic Effects of Zinc in the Intestines and Other Tissues. Int J Mol Sci. 2021;22(23)doi: 10.3390/ijms222313074.
Skalny, A. V., Aschner, M., Lei, X. G., Gritsenko, V. A., Santamaria, A., Alekseenko, S. I., Prakash, N. T., Chang, J. S., Sizova, E. A., Chao, J. C. J., Aaseth, J., & Tinkov, A. A. (2021). Gut Microbiota as a Mediator of Essential and Toxic Effects of Zinc in the Intestines and Other Tissues. International journal of molecular sciences, 22(23), . https://doi.org/10.3390/ijms222313074
Skalny, Anatoly V, et al. "Gut Microbiota as a Mediator of Essential and Toxic Effects of Zinc in the Intestines and Other Tissues." International journal of molecular sciences vol. 22,23 (2021). doi: https://doi.org/10.3390/ijms222313074
Skalny AV, Aschner M, Lei XG, Gritsenko VA, Santamaria A, Alekseenko SI, Prakash NT, Chang JS, Sizova EA, Chao JCJ, Aaseth J, Tinkov AA. Gut Microbiota as a Mediator of Essential and Toxic Effects of Zinc in the Intestines and Other Tissues. Int J Mol Sci. 2021 Dec 03;22(23). doi: 10.3390/ijms222313074. PMID: 34884881; PMCID: PMC8658153.
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Stabilization of the Surface of ZnO Films and Elimination of the Aging Effect.

Materials (Basel, Switzerland)

Abdullin KA, Gabdullin MT, Zhumagulov SK, Ismailova GA, Gritsenko LV, Kedruk YY, Mirzaeian M.
PMID: 34772061
Materials (Basel). 2021 Oct 30;14(21). doi: 10.3390/ma14216535.

Zinc oxide is a promising multifunctional material. The practical use of nano- and polycrystalline ZnO devices faces a serious problem of instability of electrical and luminescent characteristics, due to the adsorption of oxygen by the surface during aging. In...

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Abdullin KA, Gabdullin MT, Zhumagulov SK, et al. Stabilization of the Surface of ZnO Films and Elimination of the Aging Effect. Materials (Basel). 2021;14(21)doi: 10.3390/ma14216535.
Abdullin, K. A., Gabdullin, M. T., Zhumagulov, S. K., Ismailova, G. A., Gritsenko, L. V., Kedruk, Y. Y., & Mirzaeian, M. (2021). Stabilization of the Surface of ZnO Films and Elimination of the Aging Effect. Materials (Basel, Switzerland), 14(21), . https://doi.org/10.3390/ma14216535
Abdullin, Khabibulla A, et al. "Stabilization of the Surface of ZnO Films and Elimination of the Aging Effect." Materials (Basel, Switzerland) vol. 14,21 (2021). doi: https://doi.org/10.3390/ma14216535
Abdullin KA, Gabdullin MT, Zhumagulov SK, Ismailova GA, Gritsenko LV, Kedruk YY, Mirzaeian M. Stabilization of the Surface of ZnO Films and Elimination of the Aging Effect. Materials (Basel). 2021 Oct 30;14(21). doi: 10.3390/ma14216535. PMID: 34772061; PMCID: PMC8585204.
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High Performance All Nonmetal SiN.

Scientific reports

Yen TJ, Chin A, Gritsenko V.
PMID: 32071358
Sci Rep. 2020 Feb 18;10(1):2807. doi: 10.1038/s41598-020-59838-y.

All-nonmetal resistive random access memory (RRAM) with a N

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Yen TJ, Chin A, Gritsenko V. High Performance All Nonmetal SiN. Sci Rep. 2020;10(1):2807doi: 10.1038/s41598-020-59838-y.
Yen, T. J., Chin, A., & Gritsenko, V. (2020). High Performance All Nonmetal SiN. Scientific reports, 10(1), 2807. https://doi.org/10.1038/s41598-020-59838-y
Yen, Te Jui, et al. "High Performance All Nonmetal SiN." Scientific reports vol. 10,1 (2020): 2807. doi: https://doi.org/10.1038/s41598-020-59838-y
Yen TJ, Chin A, Gritsenko V. High Performance All Nonmetal SiN. Sci Rep. 2020 Feb 18;10(1):2807. doi: 10.1038/s41598-020-59838-y. PMID: 32071358; PMCID: PMC7028907.
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Analytical CPG model driven by limb velocity input generates accurate temporal locomotor dynamics.

PeerJ

Yakovenko S, Sobinov A, Gritsenko V.
PMID: 30425886
PeerJ. 2018 Oct 08;6:e5849. doi: 10.7717/peerj.5849. eCollection 2018.

The ability of vertebrates to generate rhythm within their spinal neural networks is essential for walking, running, and other rhythmic behaviors. The central pattern generator (CPG) network responsible for these behaviors is well-characterized with experimental and theoretical studies, and...

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Yakovenko S, Sobinov A, Gritsenko V. Analytical CPG model driven by limb velocity input generates accurate temporal locomotor dynamics. PeerJ. 2018;6:e5849doi: 10.7717/peerj.5849.
Yakovenko, S., Sobinov, A., & Gritsenko, V. (2018). Analytical CPG model driven by limb velocity input generates accurate temporal locomotor dynamics. PeerJ, 6e5849. https://doi.org/10.7717/peerj.5849
Yakovenko, Sergiy, et al. "Analytical CPG model driven by limb velocity input generates accurate temporal locomotor dynamics." PeerJ vol. 6 (2018): e5849. doi: https://doi.org/10.7717/peerj.5849
Yakovenko S, Sobinov A, Gritsenko V. Analytical CPG model driven by limb velocity input generates accurate temporal locomotor dynamics. PeerJ. 2018 Oct 08;6:e5849. doi: 10.7717/peerj.5849. eCollection 2018. PMID: 30425886; PMCID: PMC6230438.
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A non-JKL density matrix functional for intergeminal correlation between closed-shell geminals from analysis of natural orbital configuration interaction expansions.

The Journal of chemical physics

van Meer R, Gritsenko OV, Baerends EJ.
PMID: 29544266
J Chem Phys. 2018 Mar 14;148(10):104102. doi: 10.1063/1.5018671.

Almost all functionals that are currently used in density matrix functional theory have been created by some a priori ansatz that generates approximations to the second-order reduced density matrix (2RDM). In this paper, a more consistent approach is used:...

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van Meer R, Gritsenko OV, Baerends EJ. A non-JKL density matrix functional for intergeminal correlation between closed-shell geminals from analysis of natural orbital configuration interaction expansions. J Chem Phys. 2018;148(10):104102doi: 10.1063/1.5018671.
van Meer, R., Gritsenko, O. V., & Baerends, E. J. (2018). A non-JKL density matrix functional for intergeminal correlation between closed-shell geminals from analysis of natural orbital configuration interaction expansions. The Journal of chemical physics, 148(10), 104102. https://doi.org/10.1063/1.5018671
van Meer, R, et al. "A non-JKL density matrix functional for intergeminal correlation between closed-shell geminals from analysis of natural orbital configuration interaction expansions." The Journal of chemical physics vol. 148,10 (2018): 104102. doi: https://doi.org/10.1063/1.5018671
van Meer R, Gritsenko OV, Baerends EJ. A non-JKL density matrix functional for intergeminal correlation between closed-shell geminals from analysis of natural orbital configuration interaction expansions. J Chem Phys. 2018 Mar 14;148(10):104102. doi: 10.1063/1.5018671. PMID: 29544266.
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Comparative study of genome divergence in salmonids with various rates of genetic isolation.

International journal of genomics

Shubina EA, Nikitin MA, Ponomareva EV, Goryunov DV, Gritsenko OF.
PMID: 23984311
Int J Genomics. 2013;2013:629543. doi: 10.1155/2013/629543. Epub 2013 Jul 24.

The aim of the study is a comparative investigation of changes that certain genome parts undergo during speciation. The research was focused on divergence of coding and noncoding sequences in different groups of salmonid fishes of the Salmonidae (Salmo,...

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Shubina EA, Nikitin MA, Ponomareva EV, et al. Comparative study of genome divergence in salmonids with various rates of genetic isolation. Int J Genomics. 2013;2013:629543doi: 10.1155/2013/629543.
Shubina, E. A., Nikitin, M. A., Ponomareva, E. V., Goryunov, D. V., & Gritsenko, O. F. (2013). Comparative study of genome divergence in salmonids with various rates of genetic isolation. International journal of genomics, 2013629543. https://doi.org/10.1155/2013/629543
Shubina, Elena A, et al. "Comparative study of genome divergence in salmonids with various rates of genetic isolation." International journal of genomics vol. 2013 (2013): 629543. doi: https://doi.org/10.1155/2013/629543
Shubina EA, Nikitin MA, Ponomareva EV, Goryunov DV, Gritsenko OF. Comparative study of genome divergence in salmonids with various rates of genetic isolation. Int J Genomics. 2013;2013:629543. doi: 10.1155/2013/629543. Epub 2013 Jul 24. PMID: 23984311; PMCID: PMC3742046.
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The cerebrospinal fluid proteome in HIV infection: change associated with disease severity.

Clinical proteomics

Angel TE, Jacobs JM, Spudich SS, Gritsenko MA, Fuchs D, Liegler T, Zetterberg H, Camp DG, Price RW, Smith RD.
PMID: 22433316
Clin Proteomics. 2012 Mar 20;9(1):3. doi: 10.1186/1559-0275-9-3.

BACKGROUND: Central nervous system (CNS) infection is a nearly universal feature of untreated systemic HIV infection with a clinical spectrum that ranges from chronic asymptomatic infection to severe cognitive and motor dysfunction. Analysis of cerebrospinal fluid (CSF) has played...

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Angel TE, Jacobs JM, Spudich SS, et al. The cerebrospinal fluid proteome in HIV infection: change associated with disease severity. Clin Proteomics. 2012;9(1):3doi: 10.1186/1559-0275-9-3.
Angel, T. E., Jacobs, J. M., Spudich, S. S., Gritsenko, M. A., Fuchs, D., Liegler, T., Zetterberg, H., Camp, D. G., Price, R. W., & Smith, R. D. (2012). The cerebrospinal fluid proteome in HIV infection: change associated with disease severity. Clinical proteomics, 9(1), 3. https://doi.org/10.1186/1559-0275-9-3
Angel, Thomas E, et al. "The cerebrospinal fluid proteome in HIV infection: change associated with disease severity." Clinical proteomics vol. 9,1 (2012): 3. doi: https://doi.org/10.1186/1559-0275-9-3
Angel TE, Jacobs JM, Spudich SS, Gritsenko MA, Fuchs D, Liegler T, Zetterberg H, Camp DG, Price RW, Smith RD. The cerebrospinal fluid proteome in HIV infection: change associated with disease severity. Clin Proteomics. 2012 Mar 20;9(1):3. doi: 10.1186/1559-0275-9-3. PMID: 22433316; PMCID: PMC3353874.
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The cerebrospinal fluid proteome in HIV infection: change associated with disease severity.

Clinical proteomics

Angel TE, Jacobs JM, Spudich SS, Gritsenko MA, Fuchs D, Liegler T, Zetterberg H, Camp DG, Price RW, Smith RD.
PMID: 22433316
Clin Proteomics. 2012 Mar 20;9(1):3. doi: 10.1186/1559-0275-9-3.

BACKGROUND: Central nervous system (CNS) infection is a nearly universal feature of untreated systemic HIV infection with a clinical spectrum that ranges from chronic asymptomatic infection to severe cognitive and motor dysfunction. Analysis of cerebrospinal fluid (CSF) has played...

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Angel TE, Jacobs JM, Spudich SS, et al. The cerebrospinal fluid proteome in HIV infection: change associated with disease severity. Clin Proteomics. 2012;9(1):3doi: 10.1186/1559-0275-9-3.
Angel, T. E., Jacobs, J. M., Spudich, S. S., Gritsenko, M. A., Fuchs, D., Liegler, T., Zetterberg, H., Camp, D. G., Price, R. W., & Smith, R. D. (2012). The cerebrospinal fluid proteome in HIV infection: change associated with disease severity. Clinical proteomics, 9(1), 3. https://doi.org/10.1186/1559-0275-9-3
Angel, Thomas E, et al. "The cerebrospinal fluid proteome in HIV infection: change associated with disease severity." Clinical proteomics vol. 9,1 (2012): 3. doi: https://doi.org/10.1186/1559-0275-9-3
Angel TE, Jacobs JM, Spudich SS, Gritsenko MA, Fuchs D, Liegler T, Zetterberg H, Camp DG, Price RW, Smith RD. The cerebrospinal fluid proteome in HIV infection: change associated with disease severity. Clin Proteomics. 2012 Mar 20;9(1):3. doi: 10.1186/1559-0275-9-3. PMID: 22433316; PMCID: PMC3353874.
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Response calculations with an independent particle system with an exact one-particle density matrix.

Physical review letters

Giesbertz KJ, Gritsenko OV, Baerends EJ.
PMID: 20867438
Phys Rev Lett. 2010 Jul 02;105(1):013002. doi: 10.1103/PhysRevLett.105.013002. Epub 2010 Jul 02.

We use the natural orbitals to define an independent particle system, from which the exact one-particle density matrix can be obtained with an ensemble of degenerate determinantal ground states. Also defining explicit phases for the orbitals, and admitting functionals...

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Giesbertz KJ, Gritsenko OV, Baerends EJ. Response calculations with an independent particle system with an exact one-particle density matrix. Phys Rev Lett. 2010;105(1):013002doi: 10.1103/PhysRevLett.105.013002.
Giesbertz, K. J., Gritsenko, O. V., & Baerends, E. J. (2010). Response calculations with an independent particle system with an exact one-particle density matrix. Physical review letters, 105(1), 013002. https://doi.org/10.1103/PhysRevLett.105.013002
Giesbertz, K J H, et al. "Response calculations with an independent particle system with an exact one-particle density matrix." Physical review letters vol. 105,1 (2010): 013002. doi: https://doi.org/10.1103/PhysRevLett.105.013002
Giesbertz KJ, Gritsenko OV, Baerends EJ. Response calculations with an independent particle system with an exact one-particle density matrix. Phys Rev Lett. 2010 Jul 02;105(1):013002. doi: 10.1103/PhysRevLett.105.013002. Epub 2010 Jul 02. PMID: 20867438.
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Showing 13 to 24 of 98 entries