Stanislav K. Ignatov

Prof. Dr. Stanislav K. Igna­tov


D.Sc. (Dok­tor khimich­eskikh nauk, Phys­i­cal Chem­istry, 2006)

Ph.D.  (Kan­di­dat khimich­eskikh nauk, Phys­i­cal Chem­istry, 1995)

Pro­fes­sor (Zvanie pro­fes­sor, 2019)


Pro­fes­sor of Phys­i­cal Chem­istry Chair, Depart­ment of Chem­istry,

N.I. Lobachevsky State Uni­ver­si­ty of Nizh­ny Nov­gorod

Busi­ness Address: 

Depart­ment of Chem­istry,

N.I. Lobachevsky State Uni­ver­si­ty of Nizh­ny Nov­gorod,

23 Gagarin Avenue, Nizh­ny Nov­gorod 603950, Rus­sia



Sci­en­tif­ic inter­ests:

  • Quan­tum chem­istry of gas-sur­face inter­faces with empha­sis on the active cen­ter for­ma­tion on the sol­id sur­face (first of all, on the water ice sur­face), mech­a­nis­tic study of sur­face mod­i­fi­ca­tion process­es. Quan­tum chem­istry of het­ero­ge­neous catal­y­sis on the sol­id sur­faces, mech­a­nisms of the mol­e­c­u­lar inter­ac­tion of adsorbed mol­e­cules with a sur­face.
  • The­o­ret­i­cal treat­ment of the weak com­plex for­ma­tion in inor­gan­ic sys­tems, weak inter­ac­tions in high-pure sub­stances, mech­a­nis­tic study of the gas-phase and sur­face reac­tions and dynam­ics.
  • Metal­lic clus­ters and nanopar­ti­cles, their struc­ture and prop­er­ties, and chem­i­cal reac­tiv­i­ty.
  • Devel­op­ment of new the­o­ret­i­cal meth­ods for the inves­ti­ga­tion of struc­ture and ther­mo­dy­nam­ics of non-rigid and weak­ly-bound com­plex­es, adsorp­tion com­plex­es and clus­ters.

  Aca­d­e­m­ic Edu­ca­tion:

1982–1989  Depart­ment of Chem­istry, Uni­ver­si­ty of Nizh­ny Nov­gorod (Hon­or Diplo­ma in Chem­istry)

1991–1994  Ph.D. work (Aspi­ran­tu­ra), Phys­i­cal Chem­istry Chair, Uni­ver­si­ty of Nizh­ny Nov­gorod, super­vi­sor Prof. Yu.A.Alexandrov.

The­sis: “Quan­tum-chem­i­cal treat­ment of the ther­mo­chem­i­cal, elec­tron­ic, and  struc­tur­al para­me­ters of organochromi­um com­pounds with the bipo­lar expan­sion tech­nique for the Ohno poten­tial”

Post­doc­tor­al fel­low­ship:

Prof. Alexan­der Bagatur’yants,

Lab­o­ra­to­ry of quan­tum chem­istry, Pho­to­chem­istry cen­ter of RAS, Moscow


Russ­ian, Eng­lish (flu­ent), Ger­man

Work Expe­ri­ence:    

  • 1989–1991: Sci­en­tif­ic researcher, Research Insti­tute of Chem­istry at the N.I. Lobachevsky State
  • Uni­ver­si­ty of Nizh­ny Nov­gorod (quan­tum chem­istry group of the lab­o­ra­to­ry of chem­i­cal kinet­ics)
  • 1991–1994: PhD stu­dent (Aspi­rant), Phys­i­cal Chem­istry Chair, N.I. Lobachevsky State Uni­ver­si­ty of Nizh­ny Nov­gorod
  • 1994–1998: Assis­tant Teacher (Assis­tant), Chair of Pho­to­chem­istry and Spec­troscopy, N.I. Lobachevsky State Uni­ver­si­ty of Nizh­ny Nov­gorod
  • 1998–2000: Senior Teacher (Starshii Pre­po­da­va­tel), Chair of Pho­to­chem­istry and Spec­troscopy, N.I. Lobachevsky State Uni­ver­si­ty of Nizh­ny Nov­gorod
  • 2000–2006: Assis­tant Pro­fes­sor (Docent), Chair of Pho­to­chem­istry and Spec­troscopy, N.I. Lobachevsky State Uni­ver­si­ty of Nizh­ny Nov­gorod
  • 2006-Present: Pro­fes­sor, Chair of Phys­i­cal Chem­istry (for­mer Chair of Pho­to­chem­istry and Spec­troscopy), N.I. Lobachevsky State Uni­ver­si­ty of Nizh­ny Nov­gorod

 Prin­ci­pal Inves­ti­ga­tor inre­cent grant projects:

  • Russ­ian Foun­da­tion for Basic research, RFBR (2014–2016) — Ele­men­tary het­ero­ge­neous-cat­alyt­ic reac­tions on chem­i­cal­ly mod­i­fied nanopar­ti­cles of plat­inum and VIII group met­als: selec­tive hydro­gena­tion of bifunc­tion­al com­pounds
  • RFBR (2017–2019) — Сatal­y­sis on chem­i­cal­ly mod­i­fied bimetal­lic nanopar­ti­cles of plat­inum-rhodi­um: the mech­a­nism and ways for increas­ing of selec­tiv­i­ty in the hydro­gena­tion of bifunc­tion­al com­pounds
  • RFBR (2018–2020) — Devel­op­ment of meth­ods and soft­ware for pre­dict­ing the physic­o­chem­i­cal prop­er­ties of func­tion­al nano­ma­te­ri­als
  • RFBR (2020–2022) — Devel­op­ment of meth­ods for pre­dict­ing the struc­ture and physic­o­chem­i­cal prop­er­ties of met­al clus­ters based on glob­al opti­miza­tion and DFT-cal­i­brat­ed mul­ti­par­ti­cle poten­tials
  • DAAD grant for sci­en­tif­ic projects and vis­its (Ger­many, 2003, 2009, 2011)

 Bib­lio­met­ric data (2021)

  • Num­ber of pub­li­ca­tions in WoS:  95
  • Hirsch index:                                    18
  • Sum of the Times Cit­ed:              979
  • Cit­ing Arti­cles:                               742
  • Aver­age Cita­tions per Item:           31

Jour­nal pub­li­ca­tions (1994–2021)

  1. Rozhkov A.V., Igna­tov S.K., Suleimanov E.V. Effect of an exter­nal elec­tric field on the dif­fu­sion of oxy­gen ions in zir­co­ni­um diox­ide doped with yttri­um oxide. Mol­e­c­u­lar dynam­ics study. Sol­id State Ion. 2021, 371. DOI:10.1016/j.ssi.2021.115758.
  2. Nau­mov V.S., Logi­no­va A.S., Avdoshin A.A., Igna­tov S.K., May­orov A.V., Ara­di B., Frauen­heim T. Struc­tur­al, elec­tron­ic, and ther­mo­dy­nam­ic prop­er­ties ofTiO(2)/organic clus­ters: per­for­mance ofDFTB­method with dif­fer­ent para­me­ter sets. Int J Quan­tum Chem. 2021, 121(2). DOI:10.1002/qua.26427.
  3. Igna­tov S.K., Belyaev S.N., Pan­teleev S.V., Masunov A.E. How Many Iso­mers Do Metal­lic Clus­ters Have? Case of Mag­ne­sium Clus­ters of up to 55 Atoms. J Phys Chem A. 2021, 125(30), 6543–6555. DOI:10.1021/acs.jpca.1c02529.
  4. Elisee­va T.I., Bal­abolkin, II, Geppe N.A., Tush E.V., Ovsyan­nikov D.Y., Pod­ch­ernyae­va N.S., Trushan­i­na P.V., Igna­tov S.K., Kuby­she­va N.I., Bul­gako­va V.A., Khalet­skaya O.V. Hema­to­log­ic Fea­tures of Chil­dren and Ado­les­cent Patients with Acute Hyper­sen­si­tiv­i­ty Reac­tions on Drugs and Food. Bio­med Res Int. 2020, 2020. DOI:10.1155/2020/5104284.
  5. Tush E.V., Elisee­va T.I., Khalet­skaya O.V., Krasil­niko­va S.V., Ovsyan­nikov D.Y., Potem­i­na T.E., Igna­tov S.K. Extra­cel­lu­lar Matrix Mark­ers and Meth­ods for Their Study (Review). Sovrem Tehnol Med. 2019, 11(2), 133–147. DOI:10.17691/stm2019.11.2.20.
  6. Nau­mov V.S., Igna­tov S.K. Dis­so­lu­tion of chi­tosan nanocrys­tals in aque­ous media of dif­fer­ent acid­i­ty. Mol­e­c­u­lar dynam­ic study. Car­bo­hy­dr Polym. 2019, 207, 619–627. DOI:10.1016/j.carbpol.2018.12.019.
  7. Mai V.H., Gadzhiev O.B., Igna­tov S.K., Nikonov G.I. H/D exchange in N-het­e­ro­cy­cles catal­ysed by an NHC-sup­port­ed ruthe­ni­um com­plex. Catal Sci Tech­nol. 2019, 9(13), 3398–3407. DOI:10.1039/c9cy00561g.
  8. Logi­no­va A.S., Sav­int­se­va L.A., Igna­tov S.K. Struc­ture and elec­tron­ic exci­ta­tion spec­tra of low-lying iso­mers of Au-n clus­ters (n=2–20). A DFT study. Com­put The­or Chem. 2019, 1170. DOI:10.1016/j.comptc.2019.112637.
  9. Igna­tov S.K., Razu­vaev A.G., Logi­no­va A.S., Masunov A.E. Glob­al Struc­ture Opti­miza­tion of Pt Clus­ters Based on the Mod­i­fied Empir­i­cal Poten­tials, Cal­i­brat­ed using Den­si­ty Func­tion­al The­o­ry. J Phys Chem C. 2019, 123(47), 29024–29036. DOI:10.1021/acs.jpcc.9b08691.
  10. Bukhval­o­va S.Y., Maleev A.A., Grache­va Y.A., Voitovich Y.V., Igna­tov S.K., Svir­shchevskaya E.V., Fedorov A.Y. Gold-cat­alyzed cycliza­tion in the syn­the­sis of antim­i­tot­ic 2,3-dihydrobenzo b oxepine deriv­a­tives of colchicine. Russ Chem Bull. 2019, 68(12), 2205–2215. DOI:10.1007/s11172-019‑2689-7.
  11. Var­lam­o­va L.A., Igna­tov S.K., Fuk­i­na D.G., Kon­akov A.A., Masunov A.E., Suley­manov E.V. Non­lin­ear Opti­cal Prop­er­ties of Mixed Oxide Crys­tals CsNbMoO6 and CsTa­MoO6: A Peri­od­ic CPHF/KS Study. J Phys Chem C. 2018, 122(43), 24907–24916. DOI:10.1021/acs.jpcc.8b07117.
  12. Pan­teleev S.V., Belyaev S.N., Igna­tov S.K. Effect of mag­ne­sium clus­ter size on Grig­nard reagent for­ma­tion mech­a­nism. A quan­tum-chem­i­cal study. J The­or Com­put Chem. 2018, 17(7). DOI:10.1142/s021963361850044x.
  13. Kuznetso­va Y.L., Nyuchev A.V., Lenshi­na N.A., Lopatin M.A., Igna­tov S.K., Ches­nokov S.A., Shury­gi­na M.P., Vav­ilo­va A.S., Fedorov A.Y. Syn­the­sis of flu­o­res­cent coumarin-labeled organ­ic glass. Russ Chem Bull. 2018, 67(9), 1671–1678. DOI:10.1007/s11172-018‑2275-4.
  14. Elisee­va T.I., Tush E.V., Krasil­niko­va S.V., Kuznetso­va S.V., Lar­in R.A., Kuby­she­va N.I., Khalet­skaya O.V., Potem­i­na T.E., Ryazant­sev S.V., Igna­tov S.K. Metab­o­lism of the Extra­cel­lu­lar Matrix in Bronchial Asth­ma (Review). Sovrem Tehnol Med. 2018, 10(4), 220–232. DOI:10.17691/stm2018.10.4.25.
  15. Elisee­va T.I., Tush E.V., Bal­abolkin, II, Bul­gako­va V.A., Noviko­va N.A., Zaste­lo E.S., Trushan­i­na P.V., Khalet­skaya O.V., Potem­i­na T.E., Igna­tov S.K. Char­ac­ter­is­tics of drug aller­gic reac­tions in chil­dren. Aller­gy. 2018, 73, 810–810.
  16. Elisee­va T.I., Krasil­niko­va S.V., Geppe N.A., Babaev S.Y., Tush E.V., Khalet­skaya O.V., Ovsyan­nikov D.Y., Bal­abolkin, II, Igna­tov S.K., Kuby­she­va N.I. Effect of Nasal Obstruc­tive Dis­or­ders on Sinonasal Symp­toms in Chil­dren with Dif­fer­ent Lev­els of Bronchial Asth­ma Con­trol. Can Respir J. 2018, 2018. DOI:10.1155/2018/4835823.
  17. Elisee­va T.I., Krasil­niko­va S.V., Babaev S.Y., Novozhilov A.A., Ovsyan­nikov D.Y., Igna­tov S.K., Kuby­she­va N.I., Shakhov A.V. Depen­dence of Ante­ri­or Active Rhi­no­manom­e­try Indices on Nasal Obstruc­tive Dis­or­ders in Chil­dren with Atopic Bronchial Asth­ma Com­pli­cat­ed by Nasal Symp­toms. Bio­med Res Int. 2018, 2018. DOI:10.1155/2018/1869613.
  18. Elisee­va T.I., Bal­abolkin, II, Zaste­lo E.S., Tush E.V., Igna­tov S.K., Bul­gako­va V.A., Khalet­skaya O.V. Blood counts in patients with acute hyper­sen­si­tiv­i­ty reac­tions to drugs and food. Aller­gy. 2018, 73, 804–807.
  19. Chuh­manov E.P., Ermo­laev N.L., Plakhutin B.N., Igna­tov S.K. Tris(perfluoroalkyl)germylethynyl deriv­a­tives of biphenyl con­tain­ing fer­ro­cenyl donor group: Struc­ture, spec­tra, and pho­toin­duced intramol­e­c­u­lar elec­tron trans­fer. Com­put The­or Chem. 2018, 1123, 50–60. DOI:10.1016/j.comptc.2017.11.007.
  21. Shchegrav­ina E.S., Maleev A.A., Igna­tov S.K., Grache­va I.A., Stein A., Schmalz H.G., Gavryushin A.E., Zubare­va A.A., Svir­shchevskaya E.V., Fedorov A.Y. Syn­the­sis and bio­log­i­cal eval­u­a­tion of nov­el non-racemic indole-con­tain­ing allo­colchi­ci­noids. Eur J Med Chem. 2017, 141, 51–60. DOI:10.1016/j.ejmech.2017.09.055.
  22. Nau­mov V.S., Igna­tov S.K. Mod­i­fi­ca­tion of 56A(CARBO) force field for mol­e­c­u­lar dynam­ic cal­cu­la­tions of chi­tosan and its deriv­a­tives. J Mol Mod­el. 2017, 23(8). DOI:10.1007/s00894-017‑3421-x.
  23. Logi­no­va A.S., Igna­tov S.K., Chukhmanov E.P., Salo­mati­na E.V., Smirno­va L.A. Struc­ture, spec­tra, and pho­toin­duced elec­tron-redis­tri­b­u­tion prop­er­ties of TiO2/organic copoly­mers with gold nanopar­ti­cles. A DFT study. Com­put The­or Chem. 2017, 1118, 1–15. DOI:10.1016/j.comptc.2017.08.028.
  24. Kuby­she­va N.I., Post­niko­va L.B., Soodae­va S.K., Novikov V.V., Shu­milo­va S.V., Kasato­va E.S., Elisee­va T.I., Igna­tov S.K., Li T.V., Batyr­shin I.Z. The Sig­nif­i­cance of Sol­u­ble Mol­e­cules of Cel­lu­lar Adhe­sion, Nitric Oxide Metabo­lites, and Endothe­lin-1 and their Asso­ci­a­tions as Mark­ers of Pro­gres­sion of Inflam­ma­tion in COPD. Sovrem Tehnol Med. 2017, 9(2), 105–115. DOI:10.17691/stm2017.9.2.13.
  25. Krasil­niko­va S.V., Tush E.V., Babaev S.Y., Khalet­skaya A.I., Popov K.S., Novozhilov A.A., Abubakirov T.E., Elisee­va T.I., Igna­tov S.K., Shakhov A.V., Kuby­she­va N., Solovyev V.D. Endonasal Infrared Ther­mom­e­try for the Diag­no­sis of All Inflam­ma­tion of the Nasal Mucosa in Patients with Bronchial Asth­ma. Sovrem Tehnol Med. 2017, 9(4), 201–207. DOI:10.17691/stm2017.9.4.25.
  26. Elisee­va T.I., Geppe N.A., Tush E.V., Khalet­skaya O.V., Bal­abolkin, II, Bul­gako­va V.A., Kuby­she­va N.I., Igna­tov S.K. Body Height of Chil­dren with Bronchial Asth­ma of Var­i­ous Sever­i­ties. Can Respir J. 2017, 2017. DOI:10.1155/2017/8761404.
  27. Elisee­va T.I., Geppe N.A., Igna­tov S.K., Soodae­va S.K., Tush E.V., Khalet­skaya O.V., Potem­i­na T.E., Malakhov A.B., Kuby­she­va N.I., Solovy­ov V.D. Rel­a­tive Body Mass Index as a New Tool for Nutri­tion­al Sta­tus Assess­ment in Chil­dren and Ado­les­cents with Bronchial Asth­ma. Sovrem Tehnol Med. 2017, 9(1), 135–147. DOI:10.17691/stm2017.9.1.18.
  28. Salo­mati­na E.V., Logi­no­va A.S., Igna­tov S.K., Knyazev A.V., Spi­ri­na I.V., Smirno­va L.A. Struc­ture and Cat­alyt­ic Activ­i­ty of Poly(Titanium Oxide) Doped by Gold Nanopar­ti­cles in Organ­ic Poly­mer­ic Matrix. J Inorg Organomet Polym Mater. 2016, 26(6), 1280–1291. DOI:10.1007/s10904-016‑0409-4.
  29. Igna­tov S.K., Okhap­kin A.I., Gadzhiev O.B., Razu­vaev A.G., Kunz S., Baumer M. Adsorp­tion and Dif­fu­sion of Hydro­gen on the Sur­face of the Pt-24 Sub­nanopar­ti­cle. A DFT Study. J Phys Chem C. 2016, 120(33), 18570–18587. DOI:10.1021/acs.jpcc.6b04555.
  30. Belyaev S.N., Pan­teleev S.V., Igna­tov S.K., Razu­vaev A.G. Struc­tur­al, elec­tron­ic, ther­mo­dy­nam­ic and spec­tral prop­er­ties of Mg-n (n=2–31) clus­ters. A DFT study. Com­put The­or Chem. 2016, 1079, 34–46. DOI:10.1016/j.comptc.2016.01.011.
  31. Zasovskaya M.A., Igna­tov S.K. Mol­e­c­u­lar path­ways of SOCl2 hydrol­y­sis with­in mono- and diaqua com­plex­es. A quan­tum chem­i­cal study. Com­put The­or Chem. 2015, 1069, 56–65. DOI:10.1016/j.comptc.2015.06.019.
  32. Okhap­kin A.I., Igna­tov S.K., Razu­vaev A.G. Alter­na­tive mech­a­nism of silane addi­tion to the imi­do com­plex ((BuN)-Bu-t=)(2)Mo(PMe3)(2). A quan­tum chem­i­cal study. Com­put The­or Chem. 2015, 1074, 83–90. DOI:10.1016/j.comptc.2015.10.007.
  33. Ermo­laev N.L., Lenin I.V., Fukin G.K., Shavyrin A.S., Lopatin M.A., Kuznetso­va O.V., Andreev B.A., Kryzhkov D.I., Igna­tov S.K., Chuh­manov E.P., Berbero­va N.T., Pashchenko K.P. Tris(trifluoromethyl)germylethynyl deriv­a­tives of biphenyl and anthracene: Syn­the­sis, struc­ture, and evi­dence of the intramol­e­c­u­lar charge trans­fer on the ger­ma­ni­um cen­ter. J Organomet Chem. 2015, 797, 83–95. DOI:10.1016/j.jorganchem.2015.07.027.
  34. Khal­imon A.Y., McLeod N.A., Igna­tov S.K., Okhap­kin A.I., Kuzmi­na L.G., Howard J.A.K., Nikonov G.I. Mul­ti­ple cou­pling of silanes with imi­do com­plex­es of Mo. Dal­ton Trans. 2014, 43(22), 8446–8453. DOI:10.1039/c4dt00154k.
  35. Igna­tov S.K., Gadzhiev O.B., Razu­vaev A.G., Masunov A.E., Schrems O. Adsorp­tion of Gly­ox­al (CHOCHO) and Its UV Pho­tol­y­sis Prod­ucts on the Sur­face of Atmos­pher­ic Ice Nanopar­ti­cles. DFT and Den­si­ty Func­tion­al Tight-Bind­ing Study. J Phys Chem C. 2014, 118(14), 7398–7413. DOI:10.1021/jp411523g.
  36. Pan­teleev S.V., Maslen­nikov S.V., Spi­ri­na I.V., Igna­tov S.K., Isakov M.A. Evo­lu­tion of the metal­lic cop­per sur­face at the oxi­da­tion in CCl4-DMF. Russ J Gen Chem. 2013, 83(6), 1013–1020. DOI:10.1134/s1070363213060017.
  37. Pan­teleev S.V., Maslen­nikov S.V., Igna­tov S.K., Spi­ri­na I.V. EVOLUTION OF THE COPPER SURFACE IN THE COURSE OF OXIDATION BY CCl4-L (L=THF, DMF, DMSO). SCANNING PROBE MICROSCOPE STUDY. Surf Rev Lett. 2013, 20(3–4). DOI:10.1142/s0218625x13500236.
  38. Pan­teleev S.V., Igna­tov S.K., Maslen­nikov S.V., Spi­ri­na I.V., Razu­vaev A.G., Belyaev S.N. Quan­tum-chem­i­cal study of the Grig­nard reac­tion mech­a­nism with­in the clus­ter mod­el of reac­tion cen­ter. Com­put The­or Chem. 2013, 1012, 60–71. DOI:10.1016/j.comptc.2013.02.011.
  39. Pan­teleev S.V., Igna­tov S.K., Maslen­nikov S.V., Razu­vaev A.G., Spi­ri­na I.V. Ther­mo­dy­nam­ics and reac­tiv­i­ty for the inter­con­ver­sion of active sites on a mag­ne­sium sur­face in the Grig­nard reac­tion. Russ J Phys Chem B. 2013, 7(1), 76–87. DOI:10.1134/s1990793113010053.
  40. Khal­imon A.Y., Igna­tov S.K., Okhap­kin A.I., Simiones­cu R., Kuzmi­na L.G., Howard J.A.K., Nikonov G.I. Unusu­al Struc­ture, Flux­ion­al­i­ty, and Reac­tion Mech­a­nism of Car­bonyl Hydrosi­ly­la­tion by Silyl Hydride Com­plex (ArN)Mo(H)(SiH2Ph)(PMe3)3. Chem-Eur J. 2013, 19(26), 8573–8590. DOI:10.1002/chem.201300376.
  41. Gadzhiev O.B., Igna­tov S.K., Kulikov M.Y., Fei­gin A.M., Razu­vaev A.G., Sen­nikov P.G., Schrems O. Struc­ture, Ener­gy, and Vibra­tional Fre­quen­cies of Oxy­gen Allotropes O-n (n <= 6) in the Cova­lent­ly Bound and van der Waals Forms: Ab Ini­tio Study at the CCSD(T) Lev­el. J Chem The­o­ry Com­put. 2013, 9(1), 247–262. DOI:10.1021/ct3006584.
  42. Kulikov M.Y., Vadi­mo­va O.L., Igna­tov S.K., Fei­gin A.M. The mech­a­nism of non-lin­ear pho­to­chem­i­cal oscil­la­tions in the mesopause region. Non­lin­ear Process Geo­phys. 2012, 19(5), 501–512. DOI:10.5194/npg-19–501-2012.
  43. Khal­imon A.Y., Igna­tov S.K., Simiones­cu R., Kuzmi­na L.G., Howard J.A.K., Nikonov G.I. An Unex­pect­ed Mech­a­nism of Hydrosi­ly­la­tion by a Silyl Hydride Com­plex of Molyb­de­num. Inorg Chem. 2012, 51(2), 754–756. DOI:10.1021/ic201550a.
  44. Igna­tov S.K., Pan­teleev S.V., Maslen­nikov S.V., Spi­ri­na I.V. Mech­a­nism of the Grig­nard reac­tion in terms of the clus­ter mod­el of reac­tion cen­ter. A quan­tum-chem­i­cal study. Russ J Gen Chem. 2012, 82(12), 1954–1961. DOI:10.1134/s1070363212120080.
  45. Gadzhiev O.B., Igna­tov S.K., Krisyuk B.E., Maiorov A.V., Gan­gopad­hyay S., Masunov A.E. Quan­tum Chem­i­cal Study of the Ini­tial Step of Ozone Addi­tion to the Dou­ble Bond of Eth­yl­ene. J Phys Chem A. 2012, 116(42), 10420–10434. DOI:10.1021/jp307738p.
  46. Kulikov M.Y., Fei­gin A.M., Igna­tov S.K., Sen­nikov P.G., Bluszcz T., Schrems O. Tech­ni­cal Note: VUV pho­todes­orp­tion rates from water ice in the 120–150 K tem­per­a­ture range — sig­nif­i­cance for Noc­tilu­cent Clouds. Atmos Chem Phys. 2011, 11(4), 1729–1734. DOI:10.5194/acp-11–1729-2011.
  47. Igna­tov S.K., Gadzhiev O.B., Kuikov M.Y., Petrov A.I., Razu­vaev A.G., Gand M., Fei­gin A.M., Schrems O. Adsorp­tion of Methyl Hydroper­ox­ide (CH3OOH) on Water Ice. The­o­ret­i­cal Study with Sys­tem­at­ic Assess­ment of Coor­di­na­tion Modes. J Phys Chem C. 2011, 115(18), 9081–9089. DOI:10.1021/jp112177x.
  48. Gadzhiev O.B., Igna­tov S.K., Gan­gopad­hyay S., Masunov A.E., Petrov A.I. Mech­a­nism of Nitric Oxide Oxi­da­tion Reac­tion (2NO+O-2 -> 2NO(2)) Revis­it­ed. J Chem The­o­ry Com­put. 2011, 7(7), 2021–2024. DOI:10.1021/ct100754m.
  49. Sen­nikov P.G., Igna­tov S.K., Schrems O. Iden­ti­fi­ca­tion of the prod­ucts of par­tial hydrol­y­sis of sil­i­con tetra­flu­o­ride by matrix iso­la­tion IR spec­troscopy. Russ J Inorg Chem. 2010, 55(3), 413–420. DOI:10.1134/s0036023610030198.
  50. Igna­tov S.K., Vyshin­skii N.N., Razu­vaev A.G. The sta­tis­ti­cal inte­grals of bound and qua­si-bound states of gas phase com­plex­es formed by sym­met­ri­cal non­point monomers. Russ J Phys Chem B. 2010, 4(1), 44–52. DOI:10.1134/s1990793110010070.
  51. Igna­tov S.K., Razu­vaev A.G., Leont’eva A.A., Mikheikin I.D. The ther­mo­dy­nam­ic para­me­ters of phonon-soli­ton equi­lib­ri­um in one-dimen­sion­al Frenkel-Kon­toro­va sys­tems. Russ J Phys Chem B. 2010, 4(1), 16–19. DOI:10.1134/s1990793110010033.
  52. Sen­nikov P.G., Igna­tov S.K., Sadov A.E., Razu­vaev A.G., Schrems O. Quan­tum-Chem­i­cal Cal­cu­la­tion of the Ther­mo­dy­nam­ics of Mul­ti­step Hydrol­y­sis of MX4 Mol­e­cules (M = C, Si, Ge; X = H, F, Cl) in the Gas Phase. Russ J Inorg Chem. 2009, 54(2), 252–259. DOI:10.1134/s0036023609020144.
  53. Igna­tov S.K., Razu­vaev A.G., Sen­nikov P.G., Schrems O. H2O2 adsorp­tion on the ice Ih sur­face. The­o­ret­i­cal study with sys­tem­at­ic assess­ment of the ori­en­ta­tion iso­merism of the hydro­gen bond net­work. Theochem-J Mol Struct. 2009, 908(1–3), 47–54. DOI:10.1016/j.theochem.2009.05.003.
  54. Igna­tov S.K., Khal­imon A.Y., Rees N.H., Razu­vaev A.G., Mount­ford P., Nikonov G.I. beta-Agos­tic Sily­lami­do and Silyl-Hydri­do Com­pounds of Molyb­de­num and Tung­sten. Inorg Chem. 2009, 48(20), 9605–9622. DOI:10.1021/ic900591e.
  55. Gadzhiev O.B., Igna­tov S.K., Razu­vaev A.G., Masunov A.E. Quan­tum Chem­i­cal Study of Tri­mol­e­c­u­lar Reac­tion Mech­a­nism between Nitric Oxide and Oxy­gen in the Gas Phase. J Phys Chem A. 2009, 113(32), 9092–9101. DOI:10.1021/jp900484s.
  56. Pan­teleev S.V., Igna­tov S.K., Maslen­nikov S.V. Adsorp­tion of sol­vent and oxi­dant mol­e­cules on mag­ne­sium sur­face: effect on the elec­tron­ic struc­ture and reac­tiv­i­ty of mag­ne­sium in reac­tions of Grig­nard reagent for­ma­tion. Russ Chem Bull. 2008, 57(3), 468–479. DOI:10.1007/s11172-008‑0074-z.
  57. Igna­tov S.K., Rees N.H., Merk­oulov A.A., Dub­ber­ley S.R., Razu­vaev A.G., Mount­ford P., Nikonov G.I. Non-inno­cent behav­iour of imi­do lig­ands in the reac­tions of silanes with half-sand­wich imi­do com­plex­es of Nb and V: A silane/imido cou­pling route to com­pounds with non­clas­si­cal Si-H inter­ac­tions. Chem-Eur J. 2008, 14(1), 296–310. DOI:10.1002/chem.200700271.
  58. Igna­tov S.K., Rees N.H., Merk­oulov A.A., Dub­ber­ley S.R., Razu­vaev A.G., Mount­ford P., Nikonov G.I. Silyl Hydrides of Tan­ta­lum Sup­port­ed by Cyclopen­ta­di­enyl-imi­do Lig­and Sets: Syn­the­ses, X-ray, NMR, and DFT Stud­ies. Organometallics. 2008, 27(22), 5968–5977. DOI:10.1021/om800553y.
  59. Igna­tov S.K., Kolomi­itso­va T.D., Mielke Z., Razu­vaev A.G., Shchep­kin D.N., Tokhadze K.G. A matrix iso­la­tion and the­o­ret­i­cal study of SiF4 dimers spec­tra. Chem Phys. 2006, 324(2–3), 753–766. DOI:10.1016/j.chemphys.2006.01.018.
  60. Chuprov L.A., Sen­nikov P.G., Tokhadze K.G., Igna­tov S.K., Schrems O. High-res­o­lu­tion Fouri­er-trans­form IR spec­tro­scop­ic deter­mi­na­tion of impu­ri­ties in sil­i­con tetra­flu­o­ride and silane pre­pared from it. Inorg Mater. 2006, 42(8), 924–931. DOI:10.1134/s0020168506080231.
  61. Sen­nikov P.G., Igna­tov S.K., Schrems O. Com­plex­es and clus­ters of water rel­e­vant to atmos­pher­ic chem­istry: H2O com­plex­es with oxi­dants. ChemPhysChem. 2005, 6(3), 392–412. DOI:10.1002/cphc.200400405.
  62. Grishin D.F., Shchep­alov A.A., Telegi­na E.V., Igna­tov S.K., Razu­vaev A.G., Semeny­che­va L.L. Free-rad­i­cal poly­mer­iza­tion of styrene and methyl methacry­late in the pres­ence of dicy­clopen­ta­di­enylti­ta­ni­um dichlo­ride: Exper­i­men­tal study and quan­tum-chem­i­cal mod­el­ing. Polym Sci Ser A. 2005, 47(6), 574–581.
  63. Burt­sev A.P., Bocharov V.N., Igna­tov S.K., Kolomi­itso­va T.D., Sen­nikov P.G., Tokhadze K.G., Chuprov L.A., Shchep­kin D.N., Schrems O. Inte­gral inten­si­ties of absorp­tion bands of sil­i­con tetra­flu­o­ride in the gas phase and cryo­genic solu­tions: Exper­i­ment and cal­cu­la­tion. Opt Spec­trosc. 2005, 98(2), 227–234. DOI:10.1134/1.1870065.
  64. Igna­tov S.K., Sen­nikov P.G., Razu­vaev A.G., Schrems O. Ab-ini­tio and DFT study of the mol­e­c­u­lar mech­a­nisms of SO3 and SOCl2 reac­tions with water in the gas phase. J Phys Chem A. 2004, 108(16), 3642–3649. DOI:10.1021/jp038041f.
  65. Igna­tov S.K., Rees N.H., Tyrrell B.R., Dub­ber­ley S.R., Razu­vaev A.G., Mount­ford P., Nikonov G.I. Non­clas­si­cal titanocene silyl hydrides. Chem-Eur J. 2004, 10(20), 4991–4999. DOI:10.1002/chem.200400230.
  66. Igna­tov S.K., Rees N.H., Dub­ber­ley S.R., Razu­vaev A.G., Mount­ford P., Nikonov G.I. Unex­pect­ed fea­tures of stretched Si-H cen­ter dot cen­ter dot cen­ter dot Mo beta-agos­tic inter­ac­tions. Chem Com­mun. 2004;10.1039/b315517j(8), 952–953. DOI:10.1039/b315517j.
  67. Grishin D.F., Igna­tov S.K., Shchep­alov A.A., Razu­vaev A.G. Mech­a­nism of the con­trolled rad­i­cal poly­mer­iza­tion of styrene and methyl methacry­late in the pres­ence of dicy­clopen­ta­di­enylti­ta­ni­um dichlo­ride. Appl Organomet Chem. 2004, 18(6), 271–276. DOI:10.1002/aoc.631.
  68. Igna­tov S.K., Sen­nikov P.G., Razu­vaev A.G., Chuprov L.A., Schrems O., Ault B.S. The­o­ret­i­cal study of the reac­tion mech­a­nism and role of water clus­ters in the gas-phase hydrol­y­sis of SiCl4. J Phys Chem A. 2003, 107(41), 8705–8713. DOI:10.1021/jp034618h.
  69. Igna­tov S.K., Sen­nikov P.G., Jaco­bi H.W., Razu­vaev A.G., Schrems O. Sur­face species formed dur­ing UV pho­tol­y­sis of ozone adsorbed on water ice films at 80 K. A com­bined RA-FTIR and DFT study. Phys Chem Chem Phys. 2003, 5(3), 496–505. DOI:10.1039/b208256j.
  70. Igna­tov S.K., Sen­nikov P.G., Chuprov L.A., Razu­vaev A.G. Ther­mo­dy­nam­ic and kinet­ic para­me­ters of ele­men­tary steps in gas-phase hydrol­y­sis of SiF4 cen­ter dot quan­tum-chem­i­cal and FTIR spec­tro­scop­ic stud­ies. Russ Chem Bull. 2003, 52(4), 837–845. DOI:10.1023/a:1024431805512.
  71. Dub­ber­ley S.R., Igna­tov S.K., Rees N.H., Razu­vaev A.G., Mount­ford P., Nikonov G.I. Are J(Si-H) NMR cou­pling con­stants real­ly a probe for the exis­tence of non­clas­si­cal H-Si inter­ac­tions? J Am Chem Soc. 2003, 125(3), 642–643. DOI:10.1021/ja027935v.
  72. Razu­vaev A.G., Mashin A.I., Shchep­alov A.A., Igna­tov S.K., Mashin N.I., Khokhlov A.F. Poly­con­ju­gat­ed sil­i­con poly­mers. J Struct Chem. 2001, 42(3), 347–354. DOI:10.1023/a:1012492400755.
  73. Nikonov G.L., Mount­ford P., Igna­tov S.K., Green J.C., Leech M.A., Kuzmi­na L.G., Razu­vaev A.G., Rees N.H., Blake A.J., Howard J.A.K., Lemen­ovskii D.A. Sur­pris­ing diver­si­ty of non-clas­si­cal sil­i­con-hydro­gen inter­ac­tions in half-san­di­vich com­plex­es of Nb and Ta: M-H cen­ter dot cen­ter dot cen­ter dot Si-Cl interli­gand hyper­va­lent inter­ac­tion (IHI) ver­sus stretched and unstretched beta-Si-H cen­ter dot cen­ter dot cen­ter dot M agos­tic bond­ing. J Chem Soc-Dal­ton Trans. 2001;10.1039/b103362j(19), 2903–2915. DOI:10.1039/b103362j.
  74. Igna­tov S.K., Sen­nikov P.G., Razu­vaev A.G., Simdyanov I.V., Tokhadze K.G. Quan­tum-chem­i­cal study of struc­tur­al, spec­tral, and elec­troop­ti­cal para­me­ters of flu­o­rosi­lanes SiH4-xFx (x=0–4). Opt Spec­trosc. 2001, 90(5), 654–663. DOI:10.1134/1.1374651.
  75. Igna­tov S.K., Sen­nikov P.G., Razu­vaev A.G., Chuprov L.A. Bina­ry mol­e­c­u­lar com­plex­es of sil­i­con tetra­flu­o­ride with water, methanol, and dimethyl ether. Quan­tum-chem­i­cal study. Russ Chem Bull. 2001, 50(12), 2316–2324. DOI:10.1023/a:1015015008882.
  76. Grishin D.F., Igna­tov S.K., Razu­vaev A.G., Kolyak­i­na E.V., Shchep­alov A.A., Pavlovskaya M.V., Semeny­che­va L.L. Exper­i­men­tal and the­o­ret­i­cal quan­tum-chem­i­cal study of rad­i­cal poly­mer­iza­tion in the pres­ence of nitrox­yl rad­i­cals. Polym Sci Ser A. 2001, 43(10), 989–994.
  77. Bagatur’yants A.A., Igna­tov S.K., Razu­vaev A.G., Gropen O. Struc­ture and vibra­tional fre­quen­cies of di- and monomethyl alu­minum, zinc, and boron deriv­a­tives on a chem­i­cal­ly mod­i­fied SiO2 sur­face. Mater Sci Semi­cond Process. 2000, 3(1–2), 71–77. DOI:10.1016/s1369-8001(00)00018–4.
  78. Sen­nikov P.G., Ikrin M.A., Igna­tov S.K., Bagatur’yants A.A., Klimov E.Y. IR spec­tro­scop­ic and ab ini­tio quan­tum-chem­i­cal study of the prod­ucts of hydrol­y­sis of sil­i­con tetra­flu­o­ride at low water con­cen­tra­tions. Russ Chem Bull. 1999, 48(1), 93–97. DOI:10.1007/bf02494407.
  79. Molo­tovshchiko­va M.B., Sedo­va L.G., Razu­vaev A.G., Igna­tov S.K., Podol’skaya N.I., Arte­mov A.N. For­ma­tion of chromi­um-con­tain­ing com­plex­es on a sil­i­ca sur­face acti­vat­ed at 600 degrees C. Chem Phys Rep. 1999, 18(2), 239–247.
  80. Mashin A.I., Khokhlov A.F., Igna­tov S.K., Shchep­alov A.A., Razu­vaev A.G. Role of impu­ri­ties in the for­ma­tion of sil­i­cyne (long-chain sil­i­con): the­o­ry and exper­i­ment. Semi­con­duc­tors. 1999, 33(10), 1139–1144. DOI:10.1134/1.1187883.
  81. Kor­shunov I.A., Razu­vaev A.G., Igna­tov S.K., Lebe­de­va E.A., Chadov A.Y., Fila­tov D.O., Kraev I.A. Changes in the crys­tal struc­ture of cop­per chromite dur­ing cat­alyt­ic oxi­da­tion of car­bon monox­ide. Russ J Phys Chem. 1999, 73(9), 1410–1412.
  82. Igna­tov S.K., Sen­nikov P.G., Ault B.S., Bagatur’yants A.A., Simdyanov I.V., Razu­vaev A.G., Klimov E.J., Gropen O. Water com­plex­es and hydrol­y­sis of sil­i­con tetra­flu­o­ride in the gas phase: An ab ini­tio study. J Phys Chem A. 1999, 103(41), 8328–8336. DOI:10.1021/jp9919819.
  83. Igna­tov S.K., Razu­vaev A.G., Grishin D.F., Kuznetsov M.V. Quan­tum-chem­i­cal inves­ti­ga­tion of the coor­di­na­tion-rad­i­cal methyl acry­late poly­mer­iza­tion on boron-con­tain­ing ini­tia­tors. Vysoko­mol Soedin. 1999, 41(10), 1587–1594.
  85. Igna­tov S.K., Bagatur’yants A.A., Razu­vaev A.G., Alfi­mov M.V., Molo­tovshchiko­va M.B., Dodonov V.A. Struc­ture and coor­di­na­tion of organometal­lic groups on a chem­i­cal­ly mod­i­fied SiO2 sur­face. Russ Chem Bull. 1998, 47(7), 1257–1265. DOI:10.1007/bf02495544.
  86. Igna­tov S.K., Razu­vaev A.G., Molo­tovshchiko­va M.B. Ener­get­ics and reac­tiv­i­ty of active cen­ters on the high­ly active sil­i­con sur­face. Khimich­eskaya Fiz. 1996, 15(5), 150–158.
  87. Igna­tov S.K., Razu­vaev A.G., Koko­rev V.N., Alexan­drov Y.A. Exten­sion of the PM3 method on s,p,d basis. Test cal­cu­la­tions on organochromi­um com­pounds. J Phys Chem. 1996, 100(15), 6354–6358. DOI:10.1021/jp9528572.
  88. Zorin A.D., Igna­tov S.K., Podol­skaya N.I., Razu­vaev A.G. Inter­ac­tion of trichloroar­sine and beta-chlorovinyldichloroar­sine with ammo­nia. Zhur­nal Obshchei Khimii. 1995, 65(10), 1673–1678.
  89. Ska­to­va A.A., Igna­tov S.K., Dodonov V.A., Razu­vaev A.G., Druzhkov O.N. Reac­tions of dimethylz­inc on Aerosil. Russ Chem Bull. 1995, 44(10), 1832–1836. DOI:10.1007/bf00707205.
  91. Molo­tovshchiko­va M.B., Dodonov V.A., Lysenko G.N., Igna­tov S.K., Razu­vaev A.G. Active cen­ters on the sur­face of ther­moac­ti­vat­ed sil­i­ca. Their reac­tiv­i­ty toward organoa­lu­minum com­pounds. Russ Chem Bull. 1995, 44(10), 1827–1831. DOI:10.1007/bf00707204.
  93. Igna­tov S.K., Razu­vaev A.G., Koko­rev V.N., Alek­san­drov Y.A. Semi­em­pir­i­cal cal­cu­la­tion of two-elec­tron inte­grals using bipo­lar expan­sion of the Ohno poten­tial. J Struct Chem. 1995, 36(4), 538–543. DOI:10.1007/bf02578642.
  94. Igna­tov S.K., Razu­vaev A.G., Koko­rev V.N. CALCULATION OF 2-CENTER 2-ELECTRON INTEGRALS IN THE SLATER S,P,D-BASIS SET FOR THE ONO ELECTRON-ELECTRON POTENTIAL. J Struct Chem. 1994, 35(4), 443–446. DOI:10.1007/bf02578353.
  95. Igna­tov S.K., Razu­vaev A.G. MNDO PARAMETERS FOR AS ATOMS. J Struct Chem. 1994, 35(2), 276–277. DOI:10.1007/bf02578323.



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