Journal of Structural Chemistry

Items from 1 to 20 out of 3,357 results

article

Radial Distribution Function of a Hard-Sphere Fluid

Yu. T. Pavlyukhin

Journal of Structural Chemistry > 2000 > 41 > 5 > 809-824

A hard-sphere fluid (8788 particles) is modeled by the Monte Carlo method for 41 occupation coefficients in the range of η = 0.10-0.50 (step 0.01). The radial distribution functions were determined at 512 points in an interval of up to five hard sphere radii. In this interval, the number of analyzed particle pairs was from 1.8 · 10 ⁹ to 9.0· 10 ...

article

Electron Correlations in the Argon Atom

V. F. Demekhin, F. V. Demekhin

Journal of Structural Chemistry > 2000 > 41 > 5 > 877-880

article

Microscopic Parameters of Heterostructures with Ge Nanoclusters and Thin Films in a Si Matrix

S. B. Érenburg, N. V. Bausk, A. V. Nenashev, N. P. Stepina, more

Journal of Structural Chemistry > 2000 > 41 > 5 > 802-808

Microstructural parameters (interatomic distances, coordination numbers, and their anisotropy) of heterostructures with Ge nanoclusters and thin films were determined by EXAFS spectroscopy. The variation of these parameters is correlated to the morphology of the germanium quantum points on Si(001), and adequate structural models are suggested. It is found that the pseudomorphic four-monolayer germanium...

article

Molecular Organization in Layers of Nickel(II) Dimethylglyoximate and Hydroxylaminooximate

S. A. Gromilov, S. A. Prokhorova

Journal of Structural Chemistry > 2000 > 41 > 5 > 832-836

Layers of Ni(DMG)₂ and Ni(HAO)₂ ∼0.5-1 μm thick were obtained by vacuum deposition. It was established by X-ray diffraction analysis (DRON-3M, DRON-SEIFERT-RM4, R = 192 mm, CuK _α radiation) that the layers are oriented polycrystalline films irrespective of the type of support used. Structural organization of the films and molecular orientations relative to the support surface were analyzed based on...

article

Conformational Transformations of Some Cyclohexyl Esters

A. V. Blokhin, E. V. Pavlechko, G. Ya. Kabo

Journal of Structural Chemistry > 2000 > 41 > 5 > 757-762

The ring inversion and internal rotation parameters in cyclohexylformate, cyclohexylacetate, cyclo- hexylbutyrate, and cyclohexylvalerate molecules were studied by the MM2 method using the force field. The entropy of gaseous cyclohexylformate at T = 283.19 K calculated by statistical thermodynamics methods agrees fairly well with the experimental value; this is indirect support of the correctness...

article

Molecular Structure of 3,7-Bis(β-oxyethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane

R. A. Tamazyan, A. A. Karapetyan, G. L. Arutyunyan, Ts. E. Agadjanyan

Journal of Structural Chemistry > 2000 > 41 > 5 > 913-915

article

Emission Spectra of Cascade Decay Processes Initiated by K-Ionization of Argon

A. G. Kochur, E. B. Mitkina, V. L. Sukhorukov

Journal of Structural Chemistry > 2000 > 41 > 5 > 742-748

The M ₁ -M ₂₃ and L ₂₃ -M ₁ emission spectra of the cascade decay of the Ar K-ionization states are calculated. The spectra have a complex satellite structure reflecting the dynamics of the decay process. In the case of the L ₂₃ spectrum, the anomalous increase in the fluorescence yield in the highly ionized intermediate configurations of the cascade leads to significant changes in the absolute...

article

Structural Changes in Loosening Amorphous Packings of Lennard-Jones Atoms

V. P. Voloshin, Yu. I. Naberukhin

Journal of Structural Chemistry > 2000 > 41 > 5 > 825-831

Computer simulations of crystalline and amorphous Lennard-Jones systems have revealed a stability threshold at reduced density 0.8-0.85. At this density, a substance undergoes a phase transition losing homogeneity and at lower densities decomposes into regions of dense atomic clusters separated by empty space. The characteristic size of atomic clusters is approximately 10 atomic diameters. They are...

article

Structure of Organic Crystals with Molecules Lying on Twofold Crystallographic Axes. Structural Class C2, Z = 2(2)

P. M. Zorkii, O. N. Zorkaya

Journal of Structural Chemistry > 2000 > 41 > 5 > 866-876

A comparative analysis is performed for 44 structures from the rare structural class C2, Z = 2(2) with molecules lying on the twofold crystallographic axes. The overwhelming majority of these structures (42 of 44) have distinct chains (or rods) where molecules are “strung” on the 2 axis forming very effective (according to their contribution to crystal energy) intermolecular contacts. The chains form...

article

Disordered Crystal Structure of the 1:3 Solvated Molecular Ionic Complex of 1,10-Diaza-18-crown-6 with (+)-Tartaric Acid

A. N. Chekhlov

Journal of Structural Chemistry > 2000 > 41 > 5 > 858-865

The disordered crystal structure of the 1:3 solvated molecular ionic complex of 1,10-diaza-18-crown-6 with (+)-tartaric acid [C₁₂H₂₈N₂O₄]²⁺·2C₄H₅O ₆ ^- ·C₄H₆O₆·1.5CH₃OH·1.7H₂O (I) was investigated by XRD analysis. Crystals I are monoclinic: space group P2 ₁, a = 9.662(2), b = 13.618(5), c = 14.316(3) Å, β = 93.97(2)°, Z = 2. Structure I was solved by direct methods and refined by the full-matrix least-squares...

article

Crystal Structure of a Molecular Complex of Triphenylphosphine Oxide with Nitric Acid

A. N. Chekhlov

Journal of Structural Chemistry > 2000 > 41 > 5 > 916-919

article

Cascade Decay of the Resonance-Excited Ar 1s ¹ 4p ¹ State

A. G. Kochur, E. B. Mitkina

Journal of Structural Chemistry > 2000 > 41 > 5 > 881-882

article

Crystal Structure of N-(salicylidene)-4-amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one

Yu. M. Chumakov, B. Ya. Antosyak, M. D. Mazus, V. I. Tsapkov, more

Journal of Structural Chemistry > 2000 > 41 > 5 > 905-909

article

Raman Spectra of Copper Phthalocyanin: Experiment and Calculation

T. V. Basova, B. A. Kolesov

Journal of Structural Chemistry > 2000 > 41 > 5 > 770-777

The Raman spectra of copper phthalocyanin CuPc are analyzed. The frequencies and forms of the normal in-plane vibrations which are active in the Raman spectrum are calculated. The assignment according to symmetry types is based on the polarization measurements for a β-CuPc single crystal. For phthalocyanin with all ¹⁴N atoms substituted by ¹⁵N, agreement between the calculated and experimental isotope...

article

CaBa2Cu2FeO6 Phase: Synthesis, Structure, and Mössbauer Spectra

R. A. Stukan, E. F. Makarov, L. G. Mamsurova

Journal of Structural Chemistry > 2000 > 41 > 5 > 798-801

A new phase CaBa₂Cu₂FeO₆ was synthesized by the ceramic procedure (vacuum, 930°C) from Ca₂Fe₂O₅ and BaCuO₂ intermediates. The phase is tetragonal and has a 123 structure with unit cell parameters a = b = 0.4089(3) nm, c = 1.2330(8) nm. Based on the Mössbauer data it is concluded that the iron atoms are in the Fe(3+) state and occupy only the Cu(2) sites, i.e., have tetragonal pyramidal surroundings.

article

Microtwinning in the Crystal Structure of Kuznetsovite Hg3AsO4Cl

G. V. Romanenko, S. V. Borisov

Journal of Structural Chemistry > 2000 > 41 > 5 > 888-889

article

Molecular Structures and Vibrational Spectra of ScF₃, YF₃, and LaF₃ as Calculated by the CISD+Q Method

V. G. Solomonik, O. Yu. Marochko

Journal of Structural Chemistry > 2000 > 41 > 5 > 725-732

Molecular structures and vibrational spectra of ScF₃, YF₃, and LaF₃ were studied by the Hartree–Fock– Roothaan method in terms of second-order Möller–Plesset perturbation theory and by the configuration interaction method including all singly and doubly excited configurations and Davidson's correction for quartic excitations (CISD+Q). The atomic core orbitals are defined in terms of the effective...

article

Quantum Chemical Calculation of Conformations and Rotation Barriers of Functional Groups in Arylsulfonyl Halides

V. V. Kislov, S. N. Ivanov, V. M. Petrov

Journal of Structural Chemistry > 2000 > 41 > 5 > 749-756

The semiempirical PM3 method is used to calculate the potential functions of internal rotation of the functional groups –SO₂Cl, –NO₂, –CH₃, –OCH₃, and –NH₂ of benzenesulfonyl halide molecules (PhSO₂Hal, Hal = F, Cl, Br, I) and twelve substituted derivatives of benzenesulfonyl chloride. Molecular conformations have been determined and internal rotation barriers of the functional groups have been calculated...

article

Spin Crossover ¹ A ₁⇔ ⁵ T ₂ in Solid Fe(trz)_3x(atrz)_3-3x(NO₃)₂·H₂O (trz = 1,2,4-triazole, atrz = 4-amino-1,2,4-triazole)

O. G. Shakirova, L. G. Lavrenova, Yu. G. Shvedenkov, V. N. Ikorskii, more

Journal of Structural Chemistry > 2000 > 41 > 5 > 790-797

The reaction of Fe(NO ₃)₂, trz, and atrz in ethanol–water gave solid Fe(trz) _3x (atrz) _3-3x (NO ₃ ) ₂·H ₂ O (x = 0.1, 0.2, 0.4, 0.8). The solids were investigated by magnetic chemistry, X-ray diffraction, photoelectron (DRS), IR, and Mössbauer spectroscopy methods. The individual Fe(trz)₃(NO₃)₂ and Fe(atrz)₃(NO₃)₂ as well as the solid phases exhibit a reversible spin crossover ¹ ...

article

Synthesis and Crystal Structure of N,N^'-bis(2-aminoethyl)-2,4-pentanediiminatogold(III) Perchlorate

V. A. Afanasieva, I. A. Baidina, I. V. Mironov, S. A. Gromilov, more

Journal of Structural Chemistry > 2000 > 41 > 5 > 837-842

A synthetic procedure is described for N,N^'-bis(2-aminoethyl)-2,4-pentanediiminatogold(III) perchlorate. The complex was investigated by X-ray phase and X-ray diffraction analyses, electron spectroscopy, and IR spectroscopy. Crystal data for C₉H₁₉AuN₄Cl₂O₈: a = 10.093(2), b = 7.1740(10), c = 22.985(5) Å, β = 90.35(3)°, V = 1664.2(5) Å³, space group P2(1)/n, Z = 4, d _calc = 2.324 g/cm³. The structure...

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Java method "org.springframework.web.servlet.support.RequestContext.getMessage(String)" threw an exception when invoked on org.springframework.web.servlet.support.RequestContext object "org.springframework.web.servlet.support.RequestContext@305af75b"; see cause exception in the Java stack trace.

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freemarker.core._TemplateModelException: [... Exception message was already printed; see it above ...]
	at freemarker.ext.beans._MethodUtil.newInvocationTemplateModelException(_MethodUtil.java:289)
	at freemarker.ext.beans._MethodUtil.newInvocationTemplateModelException(_MethodUtil.java:261)
	at freemarker.ext.beans.OverloadedMethodsModel.exec(OverloadedMethodsModel.java:65)
	at freemarker.core.MethodCall._eval(MethodCall.java:65)
	at freemarker.core.Expression.eval(Expression.java:81)
	at freemarker.core.DollarVariable.calculateInterpolatedStringOrMarkup(DollarVariable.java:96)
	at freemarker.core.DollarVariable.accept(DollarVariable.java:59)
	at freemarker.core.Environment.visit(Environment.java:363)
	at freemarker.core.Environment.invoke(Environment.java:715)
	at freemarker.core.UnifiedCall.accept(UnifiedCall.java:83)
	at freemarker.core.Environment.visit(Environment.java:327)
	at freemarker.core.Environment.visit(Environment.java:333)
	at freemarker.core.Environment.visit(Environment.java:369)
	at freemarker.core.IteratorBlock$IterationContext.executedNestedContentForCollOrSeqListing(IteratorBlock.java:316)
	at freemarker.core.IteratorBlock$IterationContext.executeNestedContent(IteratorBlock.java:272)
	at freemarker.core.IteratorBlock$IterationContext.accept(IteratorBlock.java:243)
	at freemarker.core.Environment.visitIteratorBlock(Environment.java:596)
	at freemarker.core.IteratorBlock.acceptWithResult(IteratorBlock.java:108)
	at freemarker.core.IteratorBlock.accept(IteratorBlock.java:94)
	at freemarker.core.Environment.visit(Environment.java:327)
	at freemarker.core.Environment.visit(Environment.java:333)
	at freemarker.core.Environment.visit(Environment.java:333)
	at freemarker.core.Environment.visit(Environment.java:333)
	at freemarker.core.Environment.process(Environment.java:306)
	at freemarker.ext.servlet.FreemarkerServlet.processEnvironment(FreemarkerServlet.java:910)
	at freemarker.ext.servlet.FreemarkerServlet.process(FreemarkerServlet.java:879)
	at freemarker.ext.servlet.FreemarkerServlet.doGet(FreemarkerServlet.java:764)
	at org.apache.tiles.request.freemarker.render.FreemarkerRenderer.render(FreemarkerRenderer.java:73)
	at org.apache.tiles.impl.BasicTilesContainer.render(BasicTilesContainer.java:259)
	at org.apache.tiles.template.InsertAttributeModel.renderAttribute(InsertAttributeModel.java:188)
	at org.apache.tiles.template.InsertAttributeModel.execute(InsertAttributeModel.java:132)
	at org.apache.tiles.jsp.taglib.InsertAttributeTag.doTag(InsertAttributeTag.java:299)
	at freemarker.ext.jsp.SimpleTagDirectiveModel.execute(SimpleTagDirectiveModel.java:92)
	at freemarker.core.Environment.visit(Environment.java:427)
	at freemarker.core.UnifiedCall.accept(UnifiedCall.java:101)
	at freemarker.core.Environment.visit(Environment.java:327)
	at freemarker.core.Environment.visit(Environment.java:333)
	at freemarker.core.Environment.process(Environment.java:306)
	at freemarker.ext.servlet.FreemarkerServlet.processEnvironment(FreemarkerServlet.java:910)
	at freemarker.ext.servlet.FreemarkerServlet.process(FreemarkerServlet.java:879)
	at freemarker.ext.servlet.FreemarkerServlet.doGet(FreemarkerServlet.java:764)
	at org.apache.tiles.request.freemarker.render.FreemarkerRenderer.render(FreemarkerRenderer.java:73)
	at org.apache.tiles.impl.BasicTilesContainer.render(BasicTilesContainer.java:259)
	at org.apache.tiles.impl.BasicTilesContainer.render(BasicTilesContainer.java:397)
	at org.apache.tiles.impl.BasicTilesContainer.render(BasicTilesContainer.java:238)
	at org.apache.tiles.impl.BasicTilesContainer.render(BasicTilesContainer.java:221)
	at org.apache.tiles.renderer.DefinitionRenderer.render(DefinitionRenderer.java:59)
	at org.apache.tiles.impl.BasicTilesContainer.render(BasicTilesContainer.java:259)
	at org.apache.tiles.template.InsertAttributeModel.renderAttribute(InsertAttributeModel.java:188)
	at org.apache.tiles.template.InsertAttributeModel.execute(InsertAttributeModel.java:132)
	at org.apache.tiles.jsp.taglib.InsertAttributeTag.doTag(InsertAttributeTag.java:299)
	at freemarker.ext.jsp.SimpleTagDirectiveModel.execute(SimpleTagDirectiveModel.java:92)
	at freemarker.core.Environment.visit(Environment.java:427)
	at freemarker.core.UnifiedCall.accept(UnifiedCall.java:101)
	at freemarker.core.Environment.visit(Environment.java:327)
	at freemarker.core.Environment.visit(Environment.java:333)
	at freemarker.core.Environment.process(Environment.java:306)
	at freemarker.ext.servlet.FreemarkerServlet.processEnvironment(FreemarkerServlet.java:910)
	at freemarker.ext.servlet.FreemarkerServlet.process(FreemarkerServlet.java:879)
	at freemarker.ext.servlet.FreemarkerServlet.doGet(FreemarkerServlet.java:764)
	at org.apache.tiles.request.freemarker.render.FreemarkerRenderer.render(FreemarkerRenderer.java:73)
	at org.apache.tiles.impl.BasicTilesContainer.render(BasicTilesContainer.java:259)
	at org.apache.tiles.impl.BasicTilesContainer.render(BasicTilesContainer.java:397)
	at org.apache.tiles.impl.BasicTilesContainer.render(BasicTilesContainer.java:238)
	at org.apache.tiles.impl.BasicTilesContainer.render(BasicTilesContainer.java:221)
	at org.apache.tiles.renderer.DefinitionRenderer.render(DefinitionRenderer.java:59)
	at org.apache.tiles.impl.BasicTilesContainer.render(BasicTilesContainer.java:259)
	at org.apache.tiles.template.InsertAttributeModel.renderAttribute(InsertAttributeModel.java:188)
	at org.apache.tiles.template.InsertAttributeModel.execute(InsertAttributeModel.java:132)
	at org.apache.tiles.jsp.taglib.InsertAttributeTag.doTag(InsertAttributeTag.java:299)
	at freemarker.ext.jsp.SimpleTagDirectiveModel.execute(SimpleTagDirectiveModel.java:92)
	at freemarker.core.Environment.visit(Environment.java:427)
	at freemarker.core.UnifiedCall.accept(UnifiedCall.java:101)
	at freemarker.core.Environment.visit(Environment.java:327)
	at freemarker.core.Environment.visit(Environment.java:333)
	at freemarker.core.Environment.process(Environment.java:306)
	at freemarker.ext.servlet.FreemarkerServlet.processEnvironment(FreemarkerServlet.java:910)
	at freemarker.ext.servlet.FreemarkerServlet.process(FreemarkerServlet.java:879)
	at freemarker.ext.servlet.FreemarkerServlet.doGet(FreemarkerServlet.java:764)
	at org.apache.tiles.request.freemarker.render.FreemarkerRenderer.render(FreemarkerRenderer.java:73)
	at org.apache.tiles.impl.BasicTilesContainer.render(BasicTilesContainer.java:259)
	at org.apache.tiles.impl.BasicTilesContainer.render(BasicTilesContainer.java:397)
	at org.apache.tiles.impl.BasicTilesContainer.render(BasicTilesContainer.java:238)
	at org.apache.tiles.impl.BasicTilesContainer.render(BasicTilesContainer.java:221)
	at org.apache.tiles.renderer.DefinitionRenderer.render(DefinitionRenderer.java:59)
	at org.springframework.web.servlet.view.tiles3.TilesView.renderMergedOutputModel(TilesView.java:132)
	at pl.edu.icm.synat.common.ui.tiles.FreeMarkerAndTilesView.renderMergedOutputModel(FreeMarkerAndTilesView.java:148)
	at org.springframework.web.servlet.view.AbstractView.render(AbstractView.java:303)
	at org.springframework.web.servlet.DispatcherServlet.render(DispatcherServlet.java:1243)
	at org.springframework.web.servlet.DispatcherServlet.processDispatchResult(DispatcherServlet.java:1027)
	at org.springframework.web.servlet.DispatcherServlet.doDispatch(DispatcherServlet.java:971)
	at org.springframework.web.servlet.DispatcherServlet.doService(DispatcherServlet.java:893)
	at org.springframework.web.servlet.FrameworkServlet.processRequest(FrameworkServlet.java:965)
	at org.springframework.web.servlet.FrameworkServlet.doGet(FrameworkServlet.java:856)
	at javax.servlet.http.HttpServlet.service(HttpServlet.java:620)
	at org.springframework.web.servlet.FrameworkServlet.service(FrameworkServlet.java:841)
	at javax.servlet.http.HttpServlet.service(HttpServlet.java:727)
	at org.apache.catalina.core.ApplicationFilterChain.internalDoFilter(ApplicationFilterChain.java:303)
	at org.apache.catalina.core.ApplicationFilterChain.doFilter(ApplicationFilterChain.java:208)
	at org.apache.tomcat.websocket.server.WsFilter.doFilter(WsFilter.java:52)
	at org.apache.catalina.core.ApplicationFilterChain.internalDoFilter(ApplicationFilterChain.java:241)
	at org.apache.catalina.core.ApplicationFilterChain.doFilter(ApplicationFilterChain.java:208)
	at org.springframework.security.web.FilterChainProxy$VirtualFilterChain.doFilter(FilterChainProxy.java:316)
	at org.springframework.security.web.access.intercept.FilterSecurityInterceptor.invoke(FilterSecurityInterceptor.java:126)
	at org.springframework.security.web.access.intercept.FilterSecurityInterceptor.doFilter(FilterSecurityInterceptor.java:90)
	at org.springframework.security.web.FilterChainProxy$VirtualFilterChain.doFilter(FilterChainProxy.java:330)
	at org.springframework.security.web.access.ExceptionTranslationFilter.doFilter(ExceptionTranslationFilter.java:114)
	at org.springframework.security.web.FilterChainProxy$VirtualFilterChain.doFilter(FilterChainProxy.java:330)
	at org.springframework.security.web.session.SessionManagementFilter.doFilter(SessionManagementFilter.java:122)
	at org.springframework.security.web.FilterChainProxy$VirtualFilterChain.doFilter(FilterChainProxy.java:330)
	at org.springframework.security.web.authentication.AnonymousAuthenticationFilter.doFilter(AnonymousAuthenticationFilter.java:111)
	at org.springframework.security.web.FilterChainProxy$VirtualFilterChain.doFilter(FilterChainProxy.java:330)
	at org.springframework.security.web.authentication.rememberme.RememberMeAuthenticationFilter.doFilter(RememberMeAuthenticationFilter.java:149)
	at org.springframework.security.web.FilterChainProxy$VirtualFilterChain.doFilter(FilterChainProxy.java:330)
	at org.springframework.security.web.servletapi.SecurityContextHolderAwareRequestFilter.doFilter(SecurityContextHolderAwareRequestFilter.java:168)
	at org.springframework.security.web.FilterChainProxy$VirtualFilterChain.doFilter(FilterChainProxy.java:330)
	at org.springframework.security.web.savedrequest.RequestCacheAwareFilter.doFilter(RequestCacheAwareFilter.java:48)
	at org.springframework.security.web.FilterChainProxy$VirtualFilterChain.doFilter(FilterChainProxy.java:330)
	at org.springframework.security.web.FilterChainProxy.doFilterInternal(FilterChainProxy.java:207)
	at org.springframework.security.web.FilterChainProxy.doFilter(FilterChainProxy.java:184)
	at org.springframework.security.web.FilterChainProxy$VirtualFilterChain.doFilter(FilterChainProxy.java:330)
	at org.springframework.security.web.authentication.AbstractAuthenticationProcessingFilter.doFilter(AbstractAuthenticationProcessingFilter.java:205)
	at org.springframework.security.web.FilterChainProxy$VirtualFilterChain.doFilter(FilterChainProxy.java:330)
	at org.jasig.cas.client.session.SingleSignOutFilter.doFilter(SingleSignOutFilter.java:100)
	at org.springframework.security.web.FilterChainProxy$VirtualFilterChain.doFilter(FilterChainProxy.java:330)
	at org.springframework.security.web.authentication.AbstractAuthenticationProcessingFilter.doFilter(AbstractAuthenticationProcessingFilter.java:205)
	at org.springframework.security.web.FilterChainProxy$VirtualFilterChain.doFilter(FilterChainProxy.java:330)
	at org.springframework.security.web.authentication.logout.LogoutFilter.doFilter(LogoutFilter.java:120)
	at org.springframework.security.web.FilterChainProxy$VirtualFilterChain.doFilter(FilterChainProxy.java:330)
	at org.springframework.security.web.authentication.logout.LogoutFilter.doFilter(LogoutFilter.java:120)
	at org.springframework.security.web.FilterChainProxy$VirtualFilterChain.doFilter(FilterChainProxy.java:330)
	at org.springframework.security.web.header.HeaderWriterFilter.doFilterInternal(HeaderWriterFilter.java:64)
	at org.springframework.web.filter.OncePerRequestFilter.doFilter(OncePerRequestFilter.java:107)
	at org.springframework.security.web.FilterChainProxy$VirtualFilterChain.doFilter(FilterChainProxy.java:330)
	at org.springframework.security.web.context.request.async.WebAsyncManagerIntegrationFilter.doFilterInternal(WebAsyncManagerIntegrationFilter.java:53)
	at org.springframework.web.filter.OncePerRequestFilter.doFilter(OncePerRequestFilter.java:107)
	at org.springframework.security.web.FilterChainProxy$VirtualFilterChain.doFilter(FilterChainProxy.java:330)
	at org.springframework.security.web.session.ConcurrentSessionFilter.doFilter(ConcurrentSessionFilter.java:133)
	at org.springframework.security.web.FilterChainProxy$VirtualFilterChain.doFilter(FilterChainProxy.java:330)
	at org.springframework.security.web.context.SecurityContextPersistenceFilter.doFilter(SecurityContextPersistenceFilter.java:91)
	at org.springframework.security.web.FilterChainProxy$VirtualFilterChain.doFilter(FilterChainProxy.java:330)
	at org.springframework.security.web.access.channel.ChannelProcessingFilter.doFilter(ChannelProcessingFilter.java:152)
	at org.springframework.security.web.FilterChainProxy$VirtualFilterChain.doFilter(FilterChainProxy.java:330)
	at org.springframework.security.saml.metadata.MetadataGeneratorFilter.doFilter(MetadataGeneratorFilter.java:87)
	at org.springframework.security.web.FilterChainProxy$VirtualFilterChain.doFilter(FilterChainProxy.java:330)
	at pl.edu.icm.synat.portal.web.security.PortalLocaleFilter.doFilterInternal(PortalLocaleFilter.java:51)
	at org.springframework.web.filter.OncePerRequestFilter.doFilter(OncePerRequestFilter.java:107)
	at org.springframework.security.web.FilterChainProxy$VirtualFilterChain.doFilter(FilterChainProxy.java:330)
	at org.springframework.security.web.FilterChainProxy.doFilterInternal(FilterChainProxy.java:213)
	at org.springframework.security.web.FilterChainProxy.doFilter(FilterChainProxy.java:176)
	at org.springframework.web.filter.DelegatingFilterProxy.invokeDelegate(DelegatingFilterProxy.java:344)
	at org.springframework.web.filter.DelegatingFilterProxy.doFilter(DelegatingFilterProxy.java:261)
	at org.apache.catalina.core.ApplicationFilterChain.internalDoFilter(ApplicationFilterChain.java:241)
	at org.apache.catalina.core.ApplicationFilterChain.doFilter(ApplicationFilterChain.java:208)
	at ch.qos.logback.classic.helpers.MDCInsertingServletFilter.doFilter(MDCInsertingServletFilter.java:51)
	at org.apache.catalina.core.ApplicationFilterChain.internalDoFilter(ApplicationFilterChain.java:241)
	at org.apache.catalina.core.ApplicationFilterChain.doFilter(ApplicationFilterChain.java:208)
	at org.springframework.web.filter.CharacterEncodingFilter.doFilterInternal(CharacterEncodingFilter.java:85)
	at org.springframework.web.filter.OncePerRequestFilter.doFilter(OncePerRequestFilter.java:107)
	at org.apache.catalina.core.ApplicationFilterChain.internalDoFilter(ApplicationFilterChain.java:241)
	at org.apache.catalina.core.ApplicationFilterChain.doFilter(ApplicationFilterChain.java:208)
	at pl.edu.icm.synat.portal.web.security.RemoteIpFilter.doFilter(RemoteIpFilter.java:75)
	at org.apache.catalina.core.ApplicationFilterChain.internalDoFilter(ApplicationFilterChain.java:241)
	at org.apache.catalina.core.ApplicationFilterChain.doFilter(ApplicationFilterChain.java:208)
	at net.bull.javamelody.MonitoringFilter.doFilter(MonitoringFilter.java:219)
	at net.bull.javamelody.MonitoringFilter.doFilter(MonitoringFilter.java:196)
	at org.apache.catalina.core.ApplicationFilterChain.internalDoFilter(ApplicationFilterChain.java:241)
	at org.apache.catalina.core.ApplicationFilterChain.doFilter(ApplicationFilterChain.java:208)
	at org.apache.catalina.core.StandardWrapperValve.invoke(StandardWrapperValve.java:220)
	at org.apache.catalina.core.StandardContextValve.invoke(StandardContextValve.java:122)
	at org.apache.catalina.authenticator.AuthenticatorBase.invoke(AuthenticatorBase.java:504)
	at org.apache.catalina.core.StandardHostValve.invoke(StandardHostValve.java:170)
	at org.apache.catalina.valves.ErrorReportValve.invoke(ErrorReportValve.java:103)
	at org.apache.catalina.core.StandardEngineValve.invoke(StandardEngineValve.java:116)
	at org.apache.catalina.connector.CoyoteAdapter.service(CoyoteAdapter.java:421)
	at org.apache.coyote.ajp.AjpProcessor.process(AjpProcessor.java:190)
	at org.apache.coyote.AbstractProtocol$AbstractConnectionHandler.process(AbstractProtocol.java:611)
	at org.apache.tomcat.util.net.JIoEndpoint$SocketProcessor.run(JIoEndpoint.java:314)
	at java.util.concurrent.ThreadPoolExecutor.runWorker(ThreadPoolExecutor.java:1142)
	at java.util.concurrent.ThreadPoolExecutor$Worker.run(ThreadPoolExecutor.java:617)
	at org.apache.tomcat.util.threads.TaskThread$WrappingRunnable.run(TaskThread.java:61)
	at java.lang.Thread.run(Thread.java:745)
Caused by: org.springframework.context.NoSuchMessageException: No message found under code 'portal.searchResult.facet.^journalYear^journalVolume^journalNumber' for locale 'en'.
	at org.springframework.context.support.AbstractMessageSource.getMessage(AbstractMessageSource.java:159)
	at org.springframework.context.support.DelegatingMessageSource.getMessage(DelegatingMessageSource.java:66)
	at org.springframework.context.support.AbstractApplicationContext.getMessage(AbstractApplicationContext.java:1129)
	at org.springframework.web.servlet.support.RequestContext.getMessage(RequestContext.java:712)
	at org.springframework.web.servlet.support.RequestContext.getMessage(RequestContext.java:678)
	at sun.reflect.GeneratedMethodAccessor237.invoke(Unknown Source)
	at sun.reflect.DelegatingMethodAccessorImpl.invoke(DelegatingMethodAccessorImpl.java:43)
	at java.lang.reflect.Method.invoke(Method.java:497)
	at freemarker.ext.beans.BeansWrapper.invokeMethod(BeansWrapper.java:1458)
	at freemarker.ext.beans.ReflectionCallableMemberDescriptor.invokeMethod(ReflectionCallableMemberDescriptor.java:56)
	at freemarker.ext.beans.MemberAndArguments.invokeMethod(MemberAndArguments.java:51)
	at freemarker.ext.beans.OverloadedMethodsModel.exec(OverloadedMethodsModel.java:61)
	... 179 more

Financed by the National Centre for Research and Development under grant No. SP/I/1/77065/10 by the strategic scientific research and experimental development program: SYNAT - “Interdisciplinary System for Interactive Scientific and Scientific-Technical Information”.

INFONA - science communication portal

Journal of Structural Chemistry

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