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Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology
- 2021
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Editorial proceedings (peer-reviewed)abstract
- This volume collects 16 selected contributions from world-leading quantum scientistspresented at the Twenty-Fourth International Workshop on Quantum Systemsin Chemistry, Physics, and Biology (QSCP-XXIV), organized by Pr. AlexanderGlushkov from Odessa State Environmental University (OSENU) at the MozartGroup Complex Odessa during August 18–24, 2019. Close to 100 scientists from 28countries attended this meeting. The participants discussed the state of the art, newtrends, and future evolution of concepts and methods, and their applications to abroad variety of problems in theoretical and computational chemistry, physics, andbiology.The high-level attendance attained at this conference was particularly gratifying.It is the renowned interdisciplinary structure and friendly conviviality of QSCPmeetings that make them so successful discussion forums.The workshop took place at the Mozart Group Complex Odessa, in connectionwith OSENU. Odessa is the largest city of Ukraine, a major tourist resort and aseaport and transport hub located on the northwestern shore of the Black Sea.Odessa was the site of a large Greek settlement as early as the middle of the sixthcentury BC. Nowadays, Odessa is often called the “Pearl of the Black Sea” or“Southern Palmyra”.Details of the Odessa QSCP meeting, including the scientific and social programs,can be found on the website: https://sites.google.com/view/qscp-2019.Altogether, there were 16 morning and afternoon sessions, where 36 plenary lecturesand invited talks were given, and 3 evening poster sessions, with 72 postersbeing displayed. We are grateful to all the participants for making the QSCP-XXIVworkshop a stimulating experience and a great success.QSCP-XXIV followed the traditions established at previous workshops:QSCP-I, organized by Roy McWeeny in 1996 at San Miniato (Pisa, Italy);QSCP-II, by Stephen Wilson in 1997 at Oxford (England);QSCP-III, by Alfonso Hernandez-Laguna in 1998 at Granada (Spain);QSCP-IV, by Jean Maruani in 1999 at Marly-le-Roi (Paris, France);QSCP-V, by Erkki Br ndas in 2000 at Uppsala (Sweden);QSCP-VI, by Alia Tadjer and Yavor Delchev in 2001 at Sofia (Bulgaria);viiQSCP-VII, by Ivan Hubac in 2002 near Bratislava (Slovakia);QSCP-VIII, by Aristides Mavridis in 2003 at Spetses (Athens, Greece);QSCP-IX, by J.-P. Julien in 2004 at Les Houches (Grenoble, France);QSCP-X, by Souad Lahmar in 2005 at Carthage (Tunisia);QSCP-XI, by Oleg Vasyutinskii in 2006 at Pushkin (St. Petersburg, Russia);QSCP-XII, by Stephen Wilson in 2007 near Windsor (London, England);QSCP-XIII, by Piotr Piecuch in 2008 at East Lansing (Michigan, USA);QSCP-XIV, by G. Delgado-Barrio in 2009 at El Escorial (Madrid, Spain);QSCP-XV, by Philip Hoggan in 2010 at Cambridge (England);QSCP-XVI, by Kiyoshi Nishikawa in 2011 at Kanazawa (Japan);QSCP-XVII, by Matti Hotokka in 2012 at Turku (Finland);QSCP-XVIII, by M.A.C. Nascimento in 2013 at Paraty (Rio, Brazil);QSCP-XIX, by Cherri Hsu in 2014 at Taipei (Taiwan);QSCP-XX, by Alia Tadjer and Rossen Pavlov in 2015 at Varna (Bulgaria);QSCP-XXI, by Yan A. Wang in 2016 at Vancouver (BC, Canada);QSCP-XXII, by S. Jenkins and S. Kirk in 2017 at Changsha (China);QSCP-XXIII, by Liliana Mammino in 2018 at Kruger Park (South Africa).The lectures presented at QSCP-XXIV in the field of Quantum Systems inChemistry, Physics, and Biology were grouped into eight areas, ranging fromConcepts and Methods in Quantum Science to Computational Chemistry, Physics,and Biology through Relativistic Effects in Chemistry and Physics, Molecules andAtoms in Strong Electric and Magnetic Fields, Reactive Collisions and ChemicalReactions, Molecular Structure, Dynamics and Spectroscopy, and Molecular andNano-materials.The width and depth of the topics discussed at QSCP-XXIV are reflected in thecontents of this volume of the Springer book series Progress in TheoreticalChemistry and Physics, https://www.springer.com/series/6464, which includes foursections:I. Atomic Systems (5 papers);II. Molecular Systems (5 papers);III. Biochemistry and Biophysics (3 papers);IV. Quantum Theory and Life Sciences (3 papers).In addition to the scientific program, the workshop had its usual share of culturalevents. There was a show at the world famous Odessa Opera and Ballet Theater, avisit to the Odessa Dolphinarium, and a Black Sea cruise.The award ceremony of the CMOA Prize and Medal took place during thetraditional banquet. The CMOA Prize for junior scientists was shared between thetwo selected nominees: Joel Yuen-Zhou (University of California, San Diego, USA)and Eugeny Ternovsky (OSENU, Odessa, Ukraine). The prestigious CMOA Medalfor senior scientists was awarded to Pr. Ria Broer (University of Groningen, TheNetherlands).viii PrefaceThe venue of the following QSCP workshop was announced to be at Torun,Poland, in July 2020. But due to the Covid-19 pandemic, it was later postponed toJuly 2022.We are most grateful to the Local Patronage and Organization Committees fortheir help and dedication, which made the stay and work of participants bothpleasant and fruitful. We would like to thank the personnel of the Mozart GroupComplex Odessa as well as that of OSENU for their efficient logistics. Last but notleast, we thank the International Scientific and Honorary Committees for theirinvaluable expertise and advice.We hope this book will provide timely and in-depth coverage of the latestadvances in the theory and applications of quantum systems, and a basis forevaluating and generating new ideas in the widespread domains of chemistry,physics, and biology. It should be of interest primarily to those whose research isrelated to the development and applications of novel theoretical approaches inquantum chemistry, physics and biology.Odessa, Ukraine Alexander V. GlushkovOdessa, Ukraine Olga Yu. KhetseliusParis, France Jean MaruaniUppsala, Sweden Erkki Br ndas
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Advances in Quantum Systems in Chemistry, Physics, and Biology : Selected Proceedings of QSCP-XXIII (Kruger Park, South Africa, September 2018)
- 2020
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Editorial collection (peer-reviewed)abstract
- This edited, multi-author book gathers selected, peer-reviewed contributions based on papers presented at the 23rd International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXIII), held in Mopani Camp, The Kruger National Park, South Africa, in September 2018. The content is primarily intended for scholars, researchers, and graduate students working at universities and scientific institutes who are interested in the structure, properties, dynamics, and spectroscopy of atoms, molecules, biological systems, and condensed matter.
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- Hotokka, Matti, et al.
(author)
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Advances in Quantum Methods and Applications in Chemistry, Physics,and Biology : Progress in Theoretical Chemistry and Physics B 27
- 2013
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Book (peer-reviewed)abstract
- This volume collects 20 selected papers from the scientific contributions presented at the Seventeenth International Workshop on Quantum Systems in Chemistry and Physics (and Biology), QSCP-XVII, which was organized by Prof. Matti Hotokka at Åbo Akademi University, Turku, Finland, from August 19 to 25, 2012. Over 120 scientists from 27 countries attended this meeting. Participants of the QSCP-XVII workshop discussed the state of the art, new trends and future evolution of methods in molecular quantum mechanics, as well as their applications to a wide variety of problems in chemistry, physics, and biology.
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- Lund, Anders, et al.
(author)
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Relaxation-Time Determination from Continuous-Microwave Saturation of EPR Spectra
- 2009
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In: RADIATION RESEARCH. - 0033-7587. ; 172:6, s. 753-760
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Journal article (peer-reviewed)abstract
- Lund, A., Sagstuen, E., Sanderud, A. and Maruani, J. Relaxation-Time Determination from Continuous-Microwave Saturation of EPR Spectra. Radiat. Res. 172, 753-760 (2009). Based on the theories of Portis and of Castner 50 years ago, different continuous-wave measurement procedures for analyzing the microwave saturation power dependence of inhomogeneously broadened EPR lines were developed. Although these procedures have been refined, they still use only a few selected points on the saturation curve. A non-linear least-squares procedure for analyzing the microwave-power dependence of inhomogeneously broadened lines using all data points on a saturation curve has been developed. This procedure provides a simple alternative method to obtain magnetic relaxation data when the more direct pulse-saturation techniques are not available or are less suitable. The latter includes applications of quantitative EPR such as dosimetry. Then microwave saturation data should be obtained under conditions similar to those used in the quantitative measurements, which are usually made on first derivative spectra recorded using continuous-wave spectrometers. Selected applications to benchmark literature data and within the field of EPR dosimetry are discussed. The results obtained illustrate that relaxation times comparable to those yielded by various pulse-saturation EPR techniques can be obtained. It appears as a systematic feature that, whenever the pulse EPR data are fitted using bi-exponential functions, the shortest relaxation times obtained are those that correspond best to those measured using the current continuous-wave saturation method.
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- Maruani, Jean, et al.
(author)
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Preface
- 2003
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In: Advanced Topics in Teoretical Chemical Physics. - : Kluwer Academic Publishers. - 140201564X ; , s. xi-xii
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Conference paper (peer-reviewed)
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