ExoMol molecular line lists - XVI: The rotation-vibration spectrum of hot H2_2S

This work presents the AYT2 line list: a comprehensive list of 114 million $^{1}$H$_2$$^{32}$S vibration-rotation transitions computed using an empirically-adjusted potential energy surface and an {\it ab initio} dipole moment surface. The line list gives complete coverage up to 11000 \cm\ (wavelengths longer than 0.91 $\mu$m) for temperatures up to 2000 K. Room temperature spectra can be simulated up to 20000 \cm\ (0.5 $\mu$m) but the predictions at visible wavelengths are less reliable. AYT2 is made available in electronic form as supplementary data to this article and at \url{www.exomol.com}.Comment: 12 pages, 10 figures, 10 table

Деякі аспекти експертного дослідження текстів малого обсягу

Recently, software products have come to the aid of handwriting experts all over the world, which operation is based on: automatic measurement of segments between the points highlighted in compared signatures; registration of the execution time of individual fragments and comparison of the obtained data with samples; measuring the structural and geometric characteristics of objects, studying the distribution of the density of the dye in order to assess the pressure and pace; the principle of handwriting block structure. This article purpose is to generalize and theoretically substantiate forensic research on small scoop texts, highlight the key aspects of this research based on the analysis of forensic expert practice to optimize forensic research. Definitions of handwritten small scoop text and a short note, their types and characteristics of differentiation are given. Components determining the small scoops of information about handwriting in the studied manuscripts are noted. Classification of small scoop manuscripts is considered and the reasons that complicate research on these objects are analyzed. Attention is focused on the fact that referring small scop manuscripts to uninformative handwriting objects does not mean interdependence and unambiguity of these concepts. The factors determining the degree of information content of objects are given. Methodology specifics of research small scoop texts are highlighted and the main aspects of the forensic research of short texts and handwritten notes are presented. Efficient approach to solving identification issues of forensic examination of small scoop objects is proposed. Examples of the use of traditional and unconventional methods for the forensic research optimization of short handwriting objects, taking into account a specific forensic situation are given.Останнім часом на допомогу експертам-почеркознавцям у всьому світі прийшли програмні продукти, дія яких ґрунтується на: автоматичному вимірюванні відрізків між точками, позначеними в порівнюваних підписах; реєструванні часу виконання окремих фрагментів і порівнянні здобутих даних зі зразками; вимірюванні структурногеометричних характеристик об’єктів, дослідженні розподілу густини барвника з метою оцінити натискання й темп; принципі блокування почерку. Метою статті є узагальнити й теоретично обґрунтувати експертне дослідження текстів малого обсягу, виокремити ключові аспекти проведення цього дослідження на основі аналізу експертної практики для оптимізації експертного дослідження. Наведено визначення рукописного тексту малого обсягу та стислого запису, їхні види і характеристики розмежування. Зазначено складові, що зумовлюють брак інформації про почерк у досліджуваних рукописах. Розглянуто класифікацію малообсягових рукописів і проаналізовано причини, що ускладнюють дослідження цих об’єктів. Акцентовано увагу на тому, що належність малообсягових рукописів до малоінформативних почеркових об’єктів не означає взаємозалежності й однозначності цих понять. Наведено чинники, що визначають міру інформативності об’єктів. Виокремлено особливості методики дослідження текстів малого обсягу й викладено основні аспекти експертного дослідження стислих текстів і рукописних записів. Запропоновано ефективний підхід до вирішення ідентифікаційних завдань експертизи малообсягових об’єктів. Наведено приклади застосування як традиційних, так і нетрадиційних методів для оптимізації експертного дослідження стислих почеркових об’єктів з урахуванням конкретної експертної ситуації

Использование книги как средства воспитательного воздействия на заключенных в пенитенциарной системе Западной Сибири (вторая половина ХIХ - начало ХХ в.)

Historical experience of education by the means of books, known as culture of reading, started being weakened in “the age of Internet”. Novelty of the article is in the described process of impact of the book on criminals in the territory of Western Siberia considered through the cultural, historical and psychological aspects. With the use of previously unknown archival materials there are revealed the cure methods of the condemned by using the book, and the relationship to the prison literature of the political prisoners. The personality of prisoners differed by a set of moral qualities, but almost all of them were ready to the perception of people around and themselves through the literature. Illiteracy was the main obstacle in education of the condemned, but the administration of prisons opened prison schools and organized reading literature aloud. The first prison libraries appeared in the 1860-ies and were replenished generally at the expense of philanthropists. F.M. Dostoyevsky’s novels “Crime and Punishment” and “Notes from the Dead House”, fairy tales and poems by A.S. Pushkin were the most popular books: they filled life with romanticism and were a compensation factor. Political prisoners denied any educational methods, preferring to read revolutionary literature. It is impossible to track extent of impact of book on the process of correction of criminals, but it is possible to claim that libraries started forming the atmosphere of book which is the most important condition of education in prisons, and is a necessary prerequisite for correction of a convicted person.В статье с использованием неизвестных ранее архивных материалов раскрываются методы исправления уголовного сообщества западносибирских тюрем с помощью книги, а также отношение к тюремной литературе политических заключенных. Личности уголовных осужденных отличались по набору морально-нравственных качеств, но большинство было готово к восприятию окружающих и себя через мир литературы. Основным препятствием в воспитании осужденных являлась их поголовная неграмотность, для решения этой проблемы открывались тюремные школы, практиковались такие меры, как «тюремные чтения» и театральные постановки. Первые тюремные библиотеки появились в 1860-х гг. и пополнялись в основном за счет благотворителей. Наиболее популярными книгами считались романы Ф.М. Достоевского, сказки и стихотворения А.С. Пушкина. Политические заключенные отвергали любые воспитательные методы, предпочитая чтение революционной литературы. Источники не позволяют проследить, являлось ли чтение эффективной воспитательной мерой, но библиотеки формировали в тюрьмах атмосферу книги, что выступает необходимой предпосылкой для исправления личности осужденных

New forms of coal industry management

The article studies progress and problems of development of coal industry in modern Russia and views regulatory basis and perspectives of use of new forms of coal industry management, which include public-private partnership and formation of territorial clusters.peer-reviewe

Marvel analysis of the measured high-resolution rovibrational spectra of H2S

44325 measured and assigned transitions of H$_2^{32}$S, the parent isotopologue of the hydrogen sulfide molecule, are collated from 33 publications into a single database and reviewed critically. Based on this information, rotation-vibration energy levels are determined for the ground electronic state using the Measured Active Rotational-Vibrational Energy Levels (MARVEL) technique. The ortho and para principal components of the measured spectroscopic network of H$_2^{32}$S are considered separately. The verified set of 25293 ortho- and 18778 para- H$_2^{32}$S transitions determine 3969 ortho and 3467 para energy levels. The Marvel results are compared with alternative data compilations, including a theoretical variational linelist.Comment: 39 pages, 3 figures, JQSRT, 201

Recommended Isolated-Line Profile for Representing High-Resolution Spectroscopic Transitions (IUPAC Technical Report)

The report of an IUPAC Task Group, formed in 2011 on Intensities and line shapes in high-resolution spectra of water isotopologues from experiment and theory (Project No. 2011-022-2-100), on line profiles of isolated high-resolution rotational-vibrational transitions perturbed by neutral gas-phase molecules is presented. The well-documented inadequacies of the Voigt profile (VP), used almost universally by databases and radiative-transfer codes, to represent pressure effects and Doppler broadening in isolated vibrational-rotational and pure rotational transitions of the water molecule have resulted in the development of a variety alternative line-profile models. These models capture more of the physics of the influence of pressure on line shapes but, in general, at the price of greater complexity. The Task Group recommends that the partially Correlated quadratic-Speed-Dependent Hard-Collision profile (pCqSD-HCP) should be adopted as the appropriate model for high-resolution spectroscopy. For simplicity this should be called the Hartmann-Tran profile (HTP). The HTP is sophisticated enough to capture the various collisional contributions to the isolated line shape, can be computed in a straightforward and rapid manner, and reduces to simpler profiles, including the Voigt profile, under certain simplifying assumptions. © 2014 IUPAC & De Gruyte

IUPAC Critical Evaluation of the Rotational-Vibrational Spectra of Water Vapor, Part III: Energy Levels and Transition Wavenumbers for H216O

This is the third of a series of articles reporting critically evaluated rotational-vibrational line positions, transition intensities, and energy levels, with associated critically reviewed labels and uncertainties, for all the main isotopologues of water. This paper presents experimental line positions, experimental-quality energy levels, and validated labels for rotational-vibrational transitions of the most abundant isotopologue of water, H216O. The latest version of the MARVEL (Measured Active Rotational-Vibrational Energy Levels) line-inversion procedure is used to determine the rovibrational energy levels of the electronic ground state of H216O from experimentally measured lines, together with their self-consistent uncertainties, for the spectral region up to the first dissociation limit. The spectroscopic network of H216O contains two components, an ortho (o) and a para (p) one. For o-H216O and p-H216O, experimentally measured, assigned, and labeled transitions were analyzed from more than 100 sources. The measured lines come from one-photon spectra recorded at room temperature in absorption, from hot samples with temperatures up to 3000K recorded in emission, and from multiresonance excitation spectra which sample levels up to dissociation. The total number of transitions considered is 184667 of which 182156 are validated: 68027 between para states and 114129 ortho ones. These transitions give rise to 18486 validated energy levels, of which 10446 and 8040 belong to o-H216O and p-H216O, respectively. The energy levels, including their labeling with approximate normal-mode and rigid-rotor quantum numbers, have been checked against ones determined from accurate variational nuclear motion computations employing exact kinetic energy operators as well as against previous compilations of energy levels. The extensive list of MARVEL lines and levels obtained are deposited in the supplementary data of this paper, as well as in a distributed information system applied to water, W@DIS, where they can easily be retrieved

Recommended isolated-line profile for representing high-resolution spectroscopic transitions (IUPAC Technical Report)

The report of an IUPAC Task Group, formed in 2011 on "Intensities and line shapes in high-resolution spectra of water isotopologues from experiment and theory" (Project No. 2011-022-2-100), on line profiles of isolated high-resolution rotational-vibrational transitions perturbed by neutral gas-phase molecules is presented. The well-documented inadequacies of the Voigt profile (VP), used almost universally by databases and radiative-transfer codes, to represent pressure effects and Doppler broadening in isolated vibrational-rotational and pure rotational transitions of the water molecule have resulted in the development of a variety of alternative line-profile models. These models capture more of the physics of the influence of pressure on line shapes but, in general, at the price of greater complexity. The Task Group recommends that the partially Correlated quadratic-Speed-Dependent Hard-Collision profile should be adopted as the appropriate model for high-resolution spectroscopy. For simplicity this should be called the Hartmann--Tran profile (HTP). The HTP is sophisticated enough to capture the various collisional contributions to the isolated line shape, can be computed in a straightforward and rapid manner, and reduces to simpler profiles, including the Voigt profile, under certain simplifying assumptions.Comment: Accepted for publication in Pure and Applied Chemistr

IUPAC Critical Evaluation of the Rotational-Vibrational Spectra of Water Vapor, Part III: Energy Levels and Transition Wavenumbers for H216O

This is the third of a series of articles reporting critically evaluated rotational-vibrational line positions, transition intensities, and energy levels, with associated critically reviewed labels and uncertainties, for all the main isotopologues of water. This paper presents experimental line positions, experimental-quality energy levels, and validated labels for rotational-vibrational transitions of the most abundant isotopologue of water, H216O. The latest version of the MARVEL (Measured Active Rotational-Vibrational Energy Levels) line-inversion procedure is used to determine the rovibrational energy levels of the electronic ground state of H216O from experimentally measured lines, together with their self-consistent uncertainties, for the spectral region up to the first dissociation limit. The spectroscopic network of H216O contains two components, an ortho (o) and a para (p) one. For o-H216O and p-H216O, experimentally measured, assigned, and labeled transitions were analyzed from more than 100 sources. The measured lines come from one-photon spectra recorded at room temperature in absorption, from hot samples with temperatures up to 3000K recorded in emission, and from multiresonance excitation spectra which sample levels up to dissociation. The total number of transitions considered is 184667 of which 182156 are validated: 68027 between para states and 114129 ortho ones. These transitions give rise to 18486 validated energy levels, of which 10446 and 8040 belong to o-H216O and p-H216O, respectively. The energy levels, including their labeling with approximate normal-mode and rigid-rotor quantum numbers, have been checked against ones determined from accurate variational nuclear motion computations employing exact kinetic energy operators as well as against previous compilations of energy levels. The extensive list of MARVEL lines and levels obtained are deposited in the supplementary data of this paper, as well as in a distributed information system applied to water, W@DIS, where they can easily be retrieved