Výsledky vyhľadávania - "Laikov, Dimitri N."

Global approximations to the error function of real argument for vectorized computation

Autori: Laikov, Dimitri N.

Predmety: Chemical Physics (physics.chem-ph), Numerical Analysis, Chemical Physics, FOS: Mathematics, FOS: Physical sciences, Numerical Analysis (math.NA)

Prístupová URL adresa: http://arxiv.org/abs/2504.05068

Nonlocal van der Waals density functional made faster

Autori: Laikov, Dimitri N.

Predmety: Chemical Physics

Relation: http://arxiv.org/abs/2511.04169

Dostupnosť: http://arxiv.org/abs/2511.04169

Global approximation to the Boys functions for vectorized computation.

Autori: Laikov, Dimitri N.¹ (AUTHOR) laikov@rad.chem.msu.ru

Zdroj: Journal of Chemical Physics. 7/14/2025, Vol. 163 Issue 2, p1-3. 3p.

Predmety: *GAMMA functions, *MATHEMATICAL functions, *MATHEMATICAL optimization, *NUMERICAL analysis, *APPROXIMATION error, *MATHEMATICS, *MATHEMATICAL formulas, *PARALLEL programming

3‑Hydroxyisoindolinones from Keto Acids and Amines: A Mild One-Pot Synthesis with Amidinium and Phosphonium Salts.

Autori: Saakian, Arevik S. Laikov, Dimitri N. Nechaev, Mikhail S. a ďalší

Zdroj: Journal of Organic Chemistry. 9/12/2025, Vol. 90 Issue 36, p12621-12632. 12p.

Optimization of atomic density-fitting basis functions for molecular two-electron integral approximations

Autori: Laikov, Dimitri N.

Zdroj: The Journal of Chemical Physics ; volume 153, issue 11 ; ISSN 0021-9606 1089-7690

Dostupnosť: https://doi.org/10.1063/5.0014639
https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/5.0014639/15580594/114121_1_online.pdf

Spherical-harmonic-analysis-based optimization of atomic weighting functions for multicenter numerical integration in molecules

Autori: Laikov, Dimitri N.

Predmety: Chemical Physics (physics.chem-ph), Physics - Chemical Physics, FOS: Physical sciences

Prístupová URL adresa: http://arxiv.org/abs/2006.05881

Simple exchange hole models for long-range-corrected density functionals

Autori: Laikov, Dimitri N.

Zdroj: The Journal of Chemical Physics ; volume 151, issue 9 ; ISSN 0021-9606 1089-7690

Dostupnosť: https://doi.org/10.1063/1.5110633
https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/1.5110633/15562702/094106_1_online.pdf

Additive atomic approximation for relativistic effects: A two-component Hamiltonian for molecular electronic structure calculations

Autori: Laikov, Dimitri N.

Zdroj: The Journal of Chemical Physics ; volume 150, issue 6 ; ISSN 0021-9606 1089-7690

Dostupnosť: https://doi.org/10.1063/1.5082231
https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/1.5082231/13568396/061103_1_online.pdf

Neglect of four- and approximation of one-, two-, and three-center two-electron integrals in a symmetrically orthogonalized basis

Autori: Laikov, Dimitri N.

Zdroj: Journal of Computational Chemistry. 28(3):698-702

Predmety: integral approximation, symmetric orthogonalization, serniemperical methods, differential overlap, NATURAL SCIENCES, Physics, NATURVETENSKAP, Fysik

Popis súboru: print

Prístupová URL adresa: https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-57512

Communication: Stabilization of radical anions with weakly bound electron in condensed media: A case study of diacetonyl radical anion

Autori: Saenko, Elizaveta V. Laikov, Dimitri N. Baranova, Irina A. a ďalší

Prispievatelia: Saenko, Elizaveta V. Laikov, Dimitri N. Baranova, Irina A. a ďalší

Zdroj: The Journal of Chemical Physics ; volume 135, issue 10 ; ISSN 0021-9606 1089-7690

Dostupnosť: https://doi.org/10.1063/1.3638690
https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/1.3638690/15439630/101103_1_online.pdf

A new parametrizable model of molecular electronic structure

Autori: Laikov, Dimitri N.

Zdroj: The Journal of Chemical Physics ; volume 135, issue 13 ; ISSN 0021-9606 1089-7690

Dostupnosť: https://doi.org/10.1063/1.3646498
https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/1.3646498/14801494/134120_1_online.pdf

Synthesis and biological activity of 5-aryliden-2-thiohydantoin S-aryl derivatives

Autori: Finko, Alexander V. Skvortsov, Dmitry A. Laikov, Dimitri N. a ďalší

Prispievatelia: Finko, Alexander V. Skvortsov, Dmitry A. Laikov, Dimitri N. a ďalší

Zdroj: Bioorganic Chemistry ; volume 100, page 103900 ; ISSN 0045-2068

Dostupnosť: http://dx.doi.org/10.1016/j.bioorg.2020.103900
https://api.elsevier.com/content/article/PII:S0045206819314695?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S0045206819314695?httpAccept=text/plain

Ullmann-type C–Se Cross-Coupling in the Hydantoin Family: Synthesis, Mechanistic Studies, and Tests of Biological Activity

Autori: Vyhivskyi, Oleksandr Laikov, Dimitri N. Finko, Alexander V. a ďalší

Prispievatelia: Vyhivskyi, Oleksandr Laikov, Dimitri N. Finko, Alexander V. a ďalší

Zdroj: The Journal of Organic Chemistry ; volume 85, issue 5, page 3160-3173 ; ISSN 0022-3263 1520-6904

Dostupnosť: https://doi.org/10.1021/acs.joc.9b03045
https://pubs.acs.org/doi/pdf/10.1021/acs.joc.9b03045

Control of Photoisomerization of an Azoazacryptand by Anion Binding and Cucurbit[8]uril Encapsulation in an Aqueous Solution

Autori: Oshchepkov, Aleksandr S. Namashivaya, Siva S. R. Khrustalev, Victor N. a ďalší

Prispievatelia: Oshchepkov, Aleksandr S. Namashivaya, Siva S. R. Khrustalev, Victor N. a ďalší

Zdroj: The Journal of Organic Chemistry ; volume 85, issue 14, page 9255-9263 ; ISSN 0022-3263 1520-6904

Dostupnosť: https://doi.org/10.1021/acs.joc.0c01260
https://pubs.acs.org/doi/pdf/10.1021/acs.joc.0c01260

Atomic basis functions for molecular electronic structure calculations

Autori: Laikov, Dimitri N.

Zdroj: Theoretical Chemistry Accounts ; volume 138, issue 3 ; ISSN 1432-881X 1432-2234

Dostupnosť: http://dx.doi.org/10.1007/s00214-019-2432-3
http://link.springer.com/content/pdf/10.1007/s00214-019-2432-3.pdf
http://link.springer.com/article/10.1007/s00214-019-2432-3/fulltext.html

A reversible numerical integrator of the isokinetic equations of motion

Autori: Laikov, Dimitri N.

Zdroj: Theoretical Chemistry Accounts ; volume 137, issue 11 ; ISSN 1432-881X 1432-2234

Dostupnosť: http://dx.doi.org/10.1007/s00214-018-2344-7
http://link.springer.com/article/10.1007/s00214-018-2344-7/fulltext.html
http://link.springer.com/content/pdf/10.1007/s00214-018-2344-7.pdf

High-resolution electron spin resonance spectroscopy of XeF^• in solid argon. The hyperfine structure constants as a probe of relativistic effects in the chemical bonding properties of a heavy noble gas atom.

Autori: Misochko, Eugenii Ya. Akimov, Alexander V. Goldschleger, Ilya U. a ďalší

Zdroj: Journal of Chemical Physics; 1/15/2005, Vol. 122 Issue 3, p034503, 10p, 1 Diagram, 4 Charts, 5 Graphs

Predmety: XENON, ELECTRON paramagnetic resonance spectroscopy, NOBLE gases, ATOMS, SPECTRUM analysis, QUANTUM chemistry

Atomic effective potentials for starting molecular electronic structure calculations.

Autori: Laikov, Dimitri N. Briling, Ksenia R.

Zdroj: Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Jan2020, Vol. 139 Issue 1, p1-4. 4p.

Predmety: *MOLECULAR structure, *PSEUDOPOTENTIAL method, *GAUSSIAN distribution

IR-spectroscopic manifestation of the diacetyl radical anion produced by irradiation of diacetyl in a dimethyl ether matrix at 7K

Autori: Saenko, Elizaveta V. Laikov, Dimitri N. Feldman, Vladimir I.

Zdroj: Mendeleev Communications ; volume 25, issue 4, page 267-268 ; ISSN 0959-9436

Dostupnosť: http://dx.doi.org/10.1016/j.mencom.2015.07.011
https://api.elsevier.com/content/article/PII:S0959943615001285?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S0959943615001285?httpAccept=text/plain

Penrose nanotiles: design of the thin and thick rhomb molecules to self-assemble into a quasicrystal

Autori: Laikov, Dimitri N.

Zdroj: RSC Adv. ; volume 4, issue 34, page 17925-17930 ; ISSN 2046-2069

Dostupnosť: https://doi.org/10.1039/c4ra01354a
http://pubs.rsc.org/en/content/articlepdf/2014/RA/C4RA01354A