Search results for "principles"

showing 10 items of 265 documents

Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate

2016

The decay channels of singlet excited adenine uracil monophosphate (ApU) in water are studied with CASPT2//CASSCF:MM potential energy calculations and simulation of the 2D-UV spectroscopic fingerprints with the aim of elucidating the role of the different electronic states of the stacked conformer in the excited state dynamics. The adenine 1La state can decay without a barrier to a conical intersection with the ground state. In contrast, the adenine 1Lb and uracil S(U) states have minima that are separated from the intersections by sizeable barriers. Depending on the backbone conformation, the CT state can undergo inter-base hydrogen transfer and decay to the ground state through a conical …

Models Molecularmolecular electronicsChemistry MultidisciplinaryMolecular electronicsphotophysic2-DIMENSIONAL ELECTRONIC SPECTROSCOPYSTATE DYNAMICSBASE-STACKINGPhotochemistry01 natural sciences[CHIM] Chemical SciencesNUCLEIC-ACIDSQuímica quànticaEspectrofotometriaConformational isomerismComputingMilieux_MISCELLANEOUSphotophysics010304 chemical physicsFull PaperHydrogen bondChemistryChemistry (all)Full PapersMolecular spectroscopy[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryChemistryFOURIER-TRANSFORM SPECTROSCOPYSpectrophotometryExcited statePhysical Sciences1ST-PRINCIPLES SIMULATION03 Chemical SciencesGround stateUridine MonophosphateQuantum chemistryEspectroscòpia molecularmolecular electronic010402 general chemistryMolecular physicsCatalysisUltraviolet visible spectroscopy0103 physical sciencesPhotophysics | Hot Paper[CHIM]Chemical SciencesSinglet stateUV/Vis spectroscopyULTRAFAST INTERNAL-CONVERSIONSpectroscopyLIGHT-HARVESTING COMPLEXab initio calculationScience & Technologyab initio calculationsOrganic ChemistryGeneral ChemistryDNAConical intersectionDNA FingerprintingAdenosine Monophosphate0104 chemical sciences[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistryAB-INITIO SIMULATIONSElectrònica molecularMOLECULAR-DYNAMICSSpectrophotometry Ultraviolet
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La Méthode como hermenéutica musical Homenaje a Edgar Morin por su 100º cumpleaños

2021

The present work addresses the principles and properties of the complex thought formulated by the French thinker Edgar Morin and the way in which he was able me to articulate his conception of organizational complexity with one of the most important theories of musical analysis, which emerged at the beginning of the 20th century: the schenkerian analysis. It is a review and extension of a few pages of my doctoral thesis, which are intended to pay tribute to who has been, in addition to my teacher, Honorary President of Itamar since its first issue. His teachings and support has always been the engine for my quest for musical organization. On July 21, 2021, Morin celebrated his 100th birthda…

Morin celebrated his 100th birthday. 25 51UNESCO::CIENCIAS DE LAS ARTES Y LAS LETRASwhich are intended to pay tribute to who has beenRosa The present work addresses the principles and properties of the complex thought formulated by the French thinker Edgar Morin and the way in which he was able me to articulate his conception of organizational complexity with one of the most important theories of musical analysisHonorary President of Itamar since its first issue. His teachings and support has always been the engine for my quest for musical organization. On July 212386-8260 13268 Itamarin addition to my teacher2021territorios para el arte 590908 2021 7 8182058 La Méthode como hermenéutica musical Homenaje a Edgar Morin por su 100º cumpleaños Iniesta Masmano [revista de investigación musical]:CIENCIAS DE LAS ARTES Y LAS LETRAS [UNESCO]revista de investigación musical: territorios para el arte 590908 2021 7 8182058 La Méthode como hermenéutica musical Homenaje a Edgar Morin por su 100º cumpleaños Iniesta Masmanothe schenkerian analysis. It is a review and extension of a few pages of my doctoral thesis [which emerged at the beginning of the 20th century]which emerged at the beginning of the 20th century: the schenkerian analysis. It is a review and extension of a few pages of my doctoral thesis
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Oxygen evolution reaction on a N-doped Co0.5-terminated Co3O4 (001) surface

2020

The project AP05131211 “First principles investigation on catalytic properties of N-doped Co3O4.” was funded by the Ministry of Education and Science of the Republic of Kazakhstan. The work was partly supported by COST (European Cooperation in science and Technology) Action 18234 (YM and EK). The work of T. Inerbaev was performed under the state assignment of Sobolev Institute of Geology and Mineralogy Siberian Branch of the Russian Academy of Sciences. YM and EK thank Sun-to-Chem project of ERA Net.

MultidisciplinaryGeneral interestSciencecobalt oxideQLibrary science02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnology7. Clean energy01 natural sciences0104 chemical sciencesoer:NATURAL SCIENCES:Physics [Research Subject Categories]OERelectrocatalystChristian ministryCobalt oxide0210 nano-technologyGeologyfirst principles calculationsProceedings of the Latvian Academy of Sciences. Section B: Natural, Exact and Applied Sciences
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Virtual Reality Applications for Higher Educations: A Market Analysis

2021

MultimediaComputer scienceMarket analysisDesign elements and principlesVirtual realitycomputer.software_genreVDP::Samfunnsvitenskap: 200::Pedagogiske fag: 280VDP::Teknologi: 500::Informasjons- og kommunikasjonsteknologi: 550computerProceedings of the Annual Hawaii International Conference on System Sciences
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Critical point Higgs inflation in the Palatini formulation

2021

We study Higgs inflation in the Palatini formulation with the renormalisation group improved potential in the case when loop corrections generate a feature similar to an inflection point. Assuming that there is a threshold correction for the Higgs quartic coupling $\lambda$ and the top Yukawa coupling $y_t$, we scan the three-dimensional parameter space formed by the two jumps and the non-minimal coupling $\xi$. The spectral index $n_s$ can take any value in the observationally allowed range. The lower limit for the running is $\alpha_s>-3.5\times10^{-3}$, and $\alpha_s$ can be as large as the observational upper limit. Running of the running is small. The tensor-to-scalar ratio is $2.2\tim…

Nuclear and High Energy PhysicsCosmology and Nongalactic Astrophysics (astro-ph.CO)FOS: Physical sciencesRIEMANNGeneral Relativity and Quantum Cosmology (gr-qc)Parameter spaceINITIAL CONDITIONSkosmologia01 natural sciences114 Physical sciencesGeneral Relativity and Quantum CosmologyEINSTEINCritical point (thermodynamics)0103 physical sciencesRenormalization Grouplcsh:Nuclear and particle physics. Atomic energy. Radioactivityteoreettinen fysiikkaGENERAL-RELATIVITY010306 general physicscosmology of theories beyond the SMDISSIPATIONBosonMathematical physicsInflation (cosmology)Physics010308 nuclear & particles physicsYukawa potentialCONSTRAINTSBOSONGRAVITATIONRenormalization groupAFFINE VARIATIONAL-PRINCIPLESCosmology of Theories beyond the SMInflection pointHiggs bosonSCALARONlcsh:QC770-798renormalization groupAstrophysics - Cosmology and Nongalactic AstrophysicsJournal of High Energy Physics
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Influence of Ad Congruence and Social Cues on the Probability of Choosing a Restaurant

2020

Abstract. Information processing of digital content includes conscious and un-conscious processes, memory, attitudes, and emotions and moods. Build up into the Heuristic‐Systematic Model, that states that persuasion can occur through a systematic or heuristic way, this research explores the effect of social media (SM) ratings and the ad content embedded in the SM website. Online ratings (part of the user-generated content (UGC) in SM platforms) are often heuristics cues. Subtle forms of congruence, such as the matching category between a restaurant advertiser and the third-party ad, as well as UGC, could have an impact on con-sumers’ attitudes towards the former. However, research on …

PersuasionInformationSystems_INFORMATIONINTERFACESANDPRESENTATION(e.g.HCI)Digital contentmedia_common.quotation_subject05 social sciencesComputingMethodologies_MISCELLANEOUSInformation processingSocial cue050105 experimental psychologyInformationSystems_MODELSANDPRINCIPLESCongruence (geometry)0502 economics and businessSocial Media advertising UGC restaurant050211 marketing0501 psychology and cognitive sciencesSocial mediaValence (psychology)InformationSystems_MISCELLANEOUSPsychologyHeuristicsSocial psychologyComputingMilieux_MISCELLANEOUSmedia_common
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Gender Confirmation Surgery: Guiding Principles

2016

Abstract Background At this time, no formal training or educational programs exist for surgeons or surgery residents interested in performing gender confirmation surgeries. Aim To propose guiding principles designed to aid with the development of formal surgical training programs focused on gender confirmation surgery. Methods We use expert opinion to provide a “first of its kind” framework for training surgeons to care for transgender and gender nonconforming individuals. Outcomes We describe a multidisciplinary treatment model that describes an educational philosophy and the institution of quality parameters. Results This article represents the first step in the development of a structure…

Phalloplastymedicine.medical_specialtyGuiding PrinciplesUrologyEndocrinology Diabetes and MetabolismeducationSettore MED/19 - Chirurgia PlasticaMetoidioplasty030230 surgery03 medical and health sciencesOutcome Assessment (Health Care)0302 clinical medicineEndocrinologyMultidisciplinary approachTransgenderOutcome Assessment Health CareMedicineHumansMetoidioplastyPhilosophy of educationGender Confirmation SurgeryGender Surgery FellowshipMedical educationEducation Medicalbusiness.industrySex reassignment surgery (female-to-male)SurgeryPsychiatry and Mental healthReproductive MedicineVaginoplasty030220 oncology & carcinogenesisSex Reassignment ProceduresProfessional associationbusinessEducational programHuman
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Topological analysis of chemical bonding in the layered FePSe3 upon pressure-induced phase transitions

2020

The authors acknowledge the assistance of the University Computer Center of Saint-Petersburg State University in the accomplishment of high-performance computations. A.K. is grateful to the Latvian Council of Science project no. lzp-2018/2-0353 for financial support. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART2.

Phase transitionElectron densityMaterials scienceBand gaplayered compoundFOS: Physical sciencesElectronic structuresemiconductor-to-metal transition010402 general chemistryTopology01 natural sciencestopological analysis0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]Condensed Matter - Materials Science010304 chemical physicsFePSe3Materials Science (cond-mat.mtrl-sci)General ChemistrySymmetry (physics)0104 chemical sciencesComputational Mathematicshigh pressureChemical bondLinear combination of atomic orbitalsfirst-principles calculations
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Per una rilettura kantiana del principio di causalità

2018

There is no contradiction between Kant’s statement that the proposition, “every alteration has its cause,” is of no interest to the Critique of Pure Reason because of its dependence on empirical contents (KrV, B 3) and his use of the same proposition as an example of pure a priori knowledge (KrV, B 5). There is only the arduousness and sometimes also the ambiguity of a passage in which Kant attempts to establish a new basis for the validity of the principle of causality.

PhilosophyKant principles causality time alterationStatement (logic)Philosophymedia_common.quotation_subjectA priori and a posterioriContradictionPropositionSettore M-FIL/01 - Filosofia TeoreticaAmbiguityEpistemologymedia_common
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Use of site symmetry in supercell models of defective crystals: Polarons in CeO2

2017

The authors thank R. Merkle and G. W. Watson for stimulating discussions. E. K. also acknowledges partial financial support from the Russian Science Foundation for the study of charged defects under the project 14-43-00052. A. C. also acknowledges financial support from the University of Latvia Foundation (Arnis Riekstins's "MikroTik" donation). E. K. and D. G. express their gratitude to the High Performance Computer Centre in Stuttgart (HLRS, project DEFTD 12939) for the provided computer facilities whereas R. A. E. thanks the St. Petersburg State University Computer Center for assistance in high-performance calculations.

PhysicspolaronCondensed matter physicssite symmetryGeneral Physics and Astronomy02 engineering and technologyoxygen vacancy021001 nanoscience & nanotechnologyPolaron01 natural sciencesCrystallographic defectSymmetry (physics)Condensed Matter::Materials SciencePerfect crystalLinear combination of atomic orbitalsPosition (vector)Vacancy defect0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]Wyckoff positionsPhysical and Theoretical Chemistry010306 general physics0210 nano-technologyfirst principles calculationsCeO2
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