المؤلفون: Martins, Frederico F.

المساهمون: University/Department: Universitat de Girona. Institut de Química Computacional i Catàlisi

Thesis Advisors: Swart, Marcel

المصدر: TDX (Tesis Doctorals en Xarxa)

مصطلحات موضوعية: Càlcul funcional de densitat, Density functional calculations, Cálculo funcional de densidad, Metalls de transició, Transition metals, Metales de transición, Estructura electrònica, Electronic structure, Estructura electrónica, Espectroscòpia vibracional, Vibrational spectroscopy, Espectroscopia vibracional, Teoria d'enllaç, Bond theory, Teoría de enlace

وصف الملف: application/pdf

URL الوصول: http://hdl.handle.net/10803/689726

المؤلفون: Mellado Carretero, Jorge

المساهمون: University/Department: Universitat Rovira i Virgili. Departament d'Enginyeria Química

Thesis Advisors: De Lamo Castellvi, Silvia, García Gonzalo, Diego

المصدر: TDX (Tesis Doctorals en Xarxa)

مصطلحات موضوعية: Espectroscòpia vibracional, Anàlisi multivariant, Portable, Espectroscopia vibracional, Análisis multivariante, Vibrational spectroscopy, Multivariate analysis, Ciències

وصف الملف: application/pdf

URL الوصول: http://hdl.handle.net/10803/674822

المؤلفون: Jiri Käser, Kai Töpfer, Markus Meuwly

المصدر: Oxygen, Vol 4, Iss 4, Pp 389-401 (2024)

مصطلحات موضوعية: myoglobin, vibrational spectroscopy, MD simulations, H2 ligand, QM/MM, advanced electrostatics, Analytical chemistry, QD71-142, Inorganic chemistry, QD146-197

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2673-9801/4/4/24; https://doaj.org/toc/2673-9801

URL الوصول: https://doaj.org/article/1dce375ad9de4a53893761c2e1111e9b

المؤلفون: Chaima Jridi, Nour Elleuch, Jerome Lhoste, Mohamed Boujelbene

المصدر: Results in Chemistry, Vol 13, Iss , Pp 101921- (2025)

مصطلحات موضوعية: X-ray diffraction, Hirshfeld surfaces, Vibrational spectroscopy, Photoluminescence, Hybrid material, DFT calculations, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2211715624006179; https://doaj.org/toc/2211-7156

URL الوصول: https://doaj.org/article/dc5bf34c0b1f43d68c5579617eb4cd34

المؤلفون: Clyde Varner, Jonathan Lassiter, Satilmis Budak

المصدر: Chemical Physics Impact, Vol 9, Iss , Pp 100731- (2024)

مصطلحات موضوعية: Neutron, FTIR, Transverse optical, Longitudinal optical, Phonon, Vibrational Spectroscopy, Physics, QC1-999, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2667022424002755; https://doaj.org/toc/2667-0224

URL الوصول: https://doaj.org/article/7feb42b8a5424474a845a5da2255e643

المؤلفون: Eya Toumi, Nour Elleuch, Sergiu Shova, Mohamed Boujelbene

المصدر: Results in Chemistry, Vol 12, Iss , Pp 101879- (2024)

مصطلحات موضوعية: Halide complex, X-ray diffraction, Vibrational spectroscopy, Hirshfeld surface, Luminescence, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2211715624005757; https://doaj.org/toc/2211-7156

URL الوصول: https://doaj.org/article/d929824c5ed243929782060fa2e52b67

المؤلفون: Stefano Radice, Domenico Ferrari, Stefano Millefanti, Marco Gregori

المصدر: Sustainable Chemistry for the Environment, Vol 9, Iss , Pp 100188- (2025)

مصطلحات موضوعية: Vibrational spectroscopy, PVDC multilayer films, NIR spectroscopy, Polymer sorting, Chemistry, QD1-999, Environmental technology. Sanitary engineering, TD1-1066

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2949839224001317; https://doaj.org/toc/2949-8392

URL الوصول: https://doaj.org/article/cda19ab1f863436b8eacc8694335c1b1

المؤلفون: Anetts, Simon Roy

المساهمون: Schaub, Renald

مصطلحات موضوعية: STM, STM-IETS, Single molecule, Single molecule vibrational spectroscopy, Surface science, Chemistry, Physical chemistry, Cu(110), Carbon monoxide

URL الوصول: https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.875367

المؤلفون: Wei, Hong, Huang, Yixin, Santiago, Peter J, Labachyan, Khachik E, Ronaghi, Sasha, Magana, Martin Paul Banda, Huang, Yen-Hsiang, Jiang, Sunny C, Hochbaum, Allon I, Ragan, Regina

المصدر: Proceedings of the National Academy of Sciences of the United States of America. 120(7)

مصطلحات موضوعية: Environmental Sciences, Pollution and Contamination, Humans, Animals, Environmental Monitoring, Escherichia coli, Metals, Heavy, Water Quality, Agriculture, Water Pollutants, Chemical, bacterial metabolism, environmental sensors, machine learning, vibrational spectroscopy

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/1p16f78x
https://escholarship.org/content/qt1p16f78x/qt1p16f78x.pdf

المؤلفون: S. V. Abrosimov, B. O. Protsenko, A. S. Mannaa, V. G. Vlasenko, S. A. Guda, I. A. Pankin, A. S. Burlov, Y. V. Koshchienko, A. A. Guda, A. V. Soldatov

المصدر: Journal of Synchrotron Radiation, Vol 31, Iss 3, Pp 447-455 (2024)

مصطلحات موضوعية: xanes, exafs, machine learning, vibrational spectroscopy, radial basis functions, improved hypercube sampling, Nuclear and particle physics. Atomic energy. Radioactivity, QC770-798, Crystallography, QD901-999

وصف الملف: electronic resource

Relation: http://scripts.iucr.org/cgi-bin/paper?S1600577524002091; https://doaj.org/toc/1600-5775

URL الوصول: https://doaj.org/article/dc1bce4d2ded4be08c767d8b64cc13d1

المؤلفون: John W. Robinson, William W. Roberts, Adam J. Matzger

المصدر: Scientific Reports, Vol 14, Iss 1, Pp 1-13 (2024)

مصطلحات موضوعية: Hyperspectral imaging, Vibrational spectroscopy, Urology, Biomineralization, Medicine, Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2045-2322

URL الوصول: https://doaj.org/article/493ba65f40e24f7f84c43358eb21a994

المؤلفون: Fangchen Ding, Sebastián Sánchez-Villasclaras, Leiqing Pan, Weijie Lan, Juan Francisco García-Martín

المصدر: Foods, Vol 13, Iss 23, p 3894 (2024)

مصطلحات موضوعية: bio-active compounds, chemometric techniques, rapid analysis, vibrational spectroscopy, virgin olive oils, Chemical technology, TP1-1185

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2304-8158/13/23/3894; https://doaj.org/toc/2304-8158

URL الوصول: https://doaj.org/article/a14a24cdcddf49f29a14476fe770cd96

المؤلفون: Melin, Tim

المساهمون: Berg, Erik, Hardwick, Laurence, Professor

المصدر: Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology.

مصطلحات موضوعية: Li-ion batteries, Solid electrolyte interphase, Operando, Vibrational spectroscopy, Electrochemical quartz crystal microbalance, Online electrochemical mass spectrometry, Electrolytes, Additives, Kemi med inriktning mot materialkemi, Chemistry with specialization in Materials Chemistry

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-540994
https://uu.diva-portal.org/smash/get/diva2:1907875/FULLTEXT01.pdf
https://uu.diva-portal.org/smash/get/diva2:1907875/PREVIEW01.jpg

المؤلفون: Pallavi S. Gaikwad, Arti Hole, Vibha Saxena, Sipra Choudhury, Bimalendu B. Nath, C. Murali Krishna, Rita Mukhopadhyaya

المصدر: Biochemistry and Biophysics Reports, Vol 38, Iss , Pp 101721- (2024)

مصطلحات موضوعية: Chironomus, gamma radiation, Hemoglobin, FT-IR, Raman spectroscopy, Vibrational spectroscopy, Biology (General), QH301-705.5, Biochemistry, QD415-436

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2405580824000852; https://doaj.org/toc/2405-5808

URL الوصول: https://doaj.org/article/b089b6b0b66e41b5a3ddfc80b8b1e5a5

المؤلفون: Safia Chahmana, Fatiha Benghanem, Mamoun Fellah, Hakima Aityoucef, Souhib Bennaadja, Malika Foudia, Aldja Djili, Samira Ghedjati, Gamal A. El-Hiti

المصدر: Results in Chemistry, Vol 8, Iss , Pp 101622- (2024)

مصطلحات موضوعية: Schiff base, Vibrational spectroscopy, DFT, Antioxidant activity, Molecular docking, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2211715624003187; https://doaj.org/toc/2211-7156

URL الوصول: https://doaj.org/article/8a0022bbdb464bf68fe1df4ead494b02

المؤلفون: Joy Sim, Cushla McGoverin, Indrawati Oey, Russell Frew, Biniam Kebede

المصدر: Food Innovation and Advances, Vol 3, Iss 1, Pp 52-63 (2024)

مصطلحات موضوعية: vibrational spectroscopy, chemometrics, pre-processing, model optimisation, decision parameters, Food processing and manufacture, TP368-456, Biotechnology, TP248.13-248.65

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2836-774X

URL الوصول: https://doaj.org/article/83166b722b844d90a91a351161401637

المؤلفون: Hongxin Wang, Songping D. Huang, Anthony T. Young, Stephen P. Cramer, Yoshitaka Yoda, Lei Li

المصدر: Physchem, Vol 4, Iss 1, Pp 25-42 (2023)

مصطلحات موضوعية: nanoparticulate manganese cyanoferrates, non-gadolinium magnetic resonant imaging agents, L-edge X-ray absorption spectroscopy, L XAS, nuclear resonant vibrational spectroscopy, NRVS, Physical and theoretical chemistry, QD450-801

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2673-7167/4/1/3; https://doaj.org/toc/2673-7167

URL الوصول: https://doaj.org/article/4265c26ed82a42f8b88959d9054dbbc3

المؤلفون: Callery, Emma

المساهمون: Arkwright, Peter

مصطلحات موضوعية: Clinical translation, Biomarker, Diagnostics, Immunology, Machine Learning, FTIR, Primary immunodeficiency disorders, Vibrational Spectroscopy, Molecular Fingerprint, Common Variable Immune deficiency

URL الوصول: https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.873988

المؤلفون: Sahar Hafizi Yazdabadi, Dmytro Mihrin, Karen Louise Feilberg, René Wugt Larsen

المصدر: Molecules, Vol 29, Iss 23, p 5521 (2024)

مصطلحات موضوعية: carbon capture, CO2, monoethanolamine (MEA), amines, alcohols, vibrational spectroscopy, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/29/23/5521; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/899d23978b104e08904ac44a6b832ddc

المؤلفون: Gabriela P. Gomide, Wagner A. Alves, Andrzej Eilmes

المصدر: Molecules, Vol 29, Iss 22, p 5377 (2024)

مصطلحات موضوعية: vibrational spectroscopy, aluminum chloride, ethereal liquid electrolytes, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/29/22/5377; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/dcfeb828e68c48b1a485fe1a64c07c6a