المؤلفون: Sophie Riedel, Maik Gerwig, Daniela Gerlach, Erica Brendler, Robert Gericke, Edwin Kroke, Jörg Wagler

المصدر: Inorganics, Vol 11, Iss 12, p 473 (2023)

مصطلحات موضوعية: chemical shift anisotropy, (3+2)-cycloaddition, Hirshfeld surface analysis, hypercoordination, packing efficiency, polymorphism, Inorganic chemistry, QD146-197

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2304-6740/11/12/473; https://doaj.org/toc/2304-6740

URL الوصول: https://doaj.org/article/bb13462c5b25446297a17489f5c5d0b2

المؤلفون: Vieira, Ricardo, Marin-Montesinos, Ildefonso, Pereira, João, Fonseca, Rita, Ilkaeva, Marina, Sardo, Mariana, Mafra, Luís

مصطلحات موضوعية: CO2 adsorption, Solid-state NMR, Amini-modified mesoporous silica, CO2 quantification, Chemical shift anisotropy, Longitudinal relaxation time

Relation: UIDB/50011/2020; UIDP/50011/2020; PTDC/QUI-QFI/28747/2017; POCI-01-0145-FEDER-028; Infrastructure Project 022161; info:eu-repo/grantAgreement/EC/H2020/865974/EU; CEECIND/02127/2017; CEECIND/00546/2018; CEECIND/00056/2020; SFRH/BD/145004/2019; http://hdl.handle.net/10773/31596

الاتاحة: http://hdl.handle.net/10773/31596
https://doi.org/10.1021/acs.jpcc.1c02871

المؤلفون: Anne Seidel, Mareike Weigel, Lisa Ehrlich, Robert Gericke, Erica Brendler, Jörg Wagler

المصدر: Crystals; Volume 12; Issue 8; Pages: 1054

مصطلحات موضوعية: chemical shift anisotropy, 2-hydroxypyridine, hypercoordination, 2-mercaptopyridine, organosilanes, quantum chemical calculations, substituent scrambling, X-ray diffraction

وصف الملف: application/pdf

Relation: Inorganic Crystalline Materials; https://dx.doi.org/10.3390/cryst12081054

الاتاحة: https://doi.org/10.3390/cryst12081054

المؤلفون: Opella, Stanley J

مصطلحات موضوعية: Physical Sciences, Generic health relevance, Amino Acid Sequence, Binding Sites, Lipid Bilayers, Membrane Proteins, Molecular Sequence Data, Nuclear Magnetic Resonance, Biomolecular, Phospholipids, Protein Binding, Protein Conformation, Spin Labels, Bilayers, Magic angle spinning, Dipolar coupling, Chemical shift anisotropy, Structure determination, Engineering, Biophysics, Physical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/74b2d773

المؤلفون: Opella, Stanley J

المصدر: Biomedical Spectroscopy and Imaging. 3(2)

مصطلحات موضوعية: Biomedical and Clinical Sciences, Clinical Sciences, Nanotechnology, Bioengineering, Membrane proteins, NMR spectroscopy, dipolar couplings, chemical shift anisotropy, protein structure determination, oriented sample solid-state NMR, magic angle spinning solid, state NMR, rotationally aligned solid-state NMR, GPCR, MerF, p7, phospholipid bilayers, magic angle spinning solid-state NMR, Other Physical Sciences, Clinical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/96q7b0rq

المؤلفون: Lu, George J, Opella, Stanley J

المصدر: Journal of Biomolecular NMR. 58(1)

مصطلحات موضوعية: Biochemistry and Cell Biology, Chemical Sciences, Physical Sciences, Biological Sciences, Bioengineering, Underpinning research, 1.1 Normal biological development and functioning, Generic health relevance, Bacterial Proteins, Cation Transport Proteins, Isoleucine, Lipid Bilayers, Membrane Proteins, Nuclear Magnetic Resonance, Biomolecular, Phospholipids, Protein Structure, Secondary, Spin Labels, Solid-state NMR, Membrane protein, Aligned bilayers, Dipolar coupling, Chemical shift anisotropy, PISA Wheel, Dipolar Wave, Biophysics, Biological sciences, Chemical sciences, Physical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/5p3305p3

المؤلفون: Kai Xue (138816), Evgeny Nimerovsky (10004118), Kumar A. Tekwani Movellan (11879348), Stefan Becker (156472), Loren B. Andreas (1317192)

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, partly deuterated samples, measure torsion angles, hcanh pulse sequence, chemical shift anisotropy, backbone secondary structure, 4d data detect, backbone torsion angle, detection based method, 90 khz mas, angle spinning, using 55, relative orientation, recoupling nh, new proton, membrane protein, matrix 2, amphipathic helices

Relation: https://figshare.com/articles/journal_contribution/Backbone_Torsion_Angle_Determination_Using_Proton_Detected_Magic-Angle_Spinning_Nuclear_Magnetic_Resonance/17694962

الاتاحة: https://doi.org/10.1021/acs.jpclett.1c03267.s001

المؤلفون: Krishna Kishor Dey (11335535), Lekhan Lodhi (11335538), Manasi Ghosh (9927545)

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Physiology, Pharmacology, Biotechnology, Computational Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, dynamic, carbon nuclei sites, atorvastatin calcium, magnetization decay curve, drug molecule, CSA, Solid-State NMR Measurements, relaxation time, chemical shift anisotropy, ATC-I, spin-lattice relaxation time

Relation: https://figshare.com/articles/journal_contribution/Study_of_the_Variation_of_the_Electronic_Distribution_and_Motional_Dynamics_of_Two_Independent_Molecules_of_an_Asymmetric_Unit_of_Atorvastatin_Calcium_by_Solid-State_NMR_Measurements/16446104

الاتاحة: https://doi.org/10.1021/acsomega.1c03095.s004

المؤلفون: Maxwell C. Venetos (11336925), Shyam Dwaraknath (4613806), Kristin A. Persson (1396069)

مصطلحات موضوعية: Biophysics, Virology, Chemical Sciences not elsewhere classified, SISSO, R 2, 6.77 ppm, chemical shift anisotropy tensor, root-mean-squared prediction error, zeolites Sigma -2, shielding anisotropy, electron cloud distortion, data-driven approach, high-symmetry environments, shielding tensor parameter, Sparsifying Operator, forest feature, Independence Screening, difficult-to-describe materials, Geometry Descriptor, 29 Si NMR Q 4 Anisotropy, descriptor

Relation: https://figshare.com/articles/journal_contribution/Effective_Local_Geometry_Descriptor_for_sup_29_sup_Si_NMR_Q_sup_4_sup_Anisotropy/16451790

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c04829.s001

المؤلفون: Ricardo Vieira (2004400), Ildefonso Marin-Montesinos (2314993), João Pereira (6509495), Rita Fonseca (4626538), Marina Ilkaeva (3844705), Mariana Sardo (1409311), Luís Mafra (1409317)

مصطلحات موضوعية: Biophysics, Biochemistry, Ecology, Inorganic Chemistry, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, NMR chemical shift, physisorbed CO 2 signals, CO 2 sorption mechanisms, surface chemisorbed CO 2 species, CO 2 molecules, vibrational band analyses, 13 C NMR chemical shift anisotropy, Chemisorbed CO 2 Species, T 1 values, CSA, CO 2, CO 2 species physisorbed, physisorbed CO 2, CO 2 speciation, Amine-Modified Porous Silicas Enables, Quantitative NMR Identification, CO 2 environments, chemisorbed CO 2, physisorbed CO 2 species, CO 2 sorbent optimization, 13 C-labeled CO 2

Relation: https://figshare.com/articles/journal_contribution/_Hidden_CO_sub_2_sub_in_Amine-Modified_Porous_Silicas_Enables_Full_Quantitative_NMR_Identification_of_Physi-_and_Chemisorbed_CO_sub_2_sub_Species/14901103

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c02871.s001

المؤلفون: Ilya G. Shenderovich, Gleb S. Denisov

المصدر: Symmetry; Volume 13; Issue 7; Pages: 1298

مصطلحات موضوعية: cyanide, hydrogen bonding, non-covalent interactions, NMR, chemical shift anisotropy, scalar coupling, DFT, GIAO

وصف الملف: application/pdf

Relation: Chemistry and Symmetry/Asymmetry; https://dx.doi.org/10.3390/sym13071298

الاتاحة: https://doi.org/10.3390/sym13071298

المؤلفون: Taylor, Robert E, Bai, Shi, Dybowski, Cecil

المصدر: Journal of Molecular Structure. 987

مصطلحات موضوعية: 199Hg NMR, mercury, halide, chemical shielding, chemical-shift anisotropy

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/2hd26910

المؤلفون: GE Yu-wei, LIU Mai-li, GAN Zhe-hong, LI Cong-gang

المصدر: Chinese Journal of Magnetic Resonance, Vol 35, Iss 2, Pp 255-267 (2018)

مصطلحات موضوعية: solid-state NMR, review, chemical shift anisotropy (CSA), proton, hydrogen bond, Electricity and magnetism, QC501-766

وصف الملف: electronic resource

Relation: http://121.43.60.238/bpxzz/EN/10.11938/cjmr20172599; https://doaj.org/toc/1000-4556

URL الوصول: https://doaj.org/article/91ef9e9cecd14cc7acb9549e5029f548

المؤلفون: Taylor, Robert E, Carver, Colin T, Larsen, Ross E, Dmitrenko, Olga, Bai, Shi, Dybowski, Cecil

المصدر: Journal of Molecular Structure. 930

مصطلحات موضوعية: NMR, 199Hg NMR, mercuric chloride, mercury, spin-lattice relaxation, T1, activation energy, chemical shielding, chemical shift anisotropy, correlation time, ZORA, DFT.

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/56k1r7j0

المؤلفون: Kumar, Sunil, Ram, Bigan¹

المصدر: Indian Journal of Scientific Research 8(1):149-153. 2017

المؤلفون: Zawadzka-Kazimierczuk, Anna, Kauffmann, Clemens, Schwarz, Thomas C., Konrat, Robert, Kazimierczuk, Krzysztof

مصطلحات موضوعية: Cross-correlated relaxation, Dihedral angles, Chemical shift anisotropy, Dipolar interactions, Intrinsically disordered proteins, High-dimensional NMR experiments, Non-uniform sampling

Relation: Journal of Biomolecular NMR; 257-265; https://repozytorium.uw.edu.pl//handle/item/101764

الاتاحة: https://repozytorium.uw.edu.pl//handle/item/101764
https://doi.org/10.1007/S10858-020-00308-Y

المؤلفون: Dawson, Daniel M., Moran, Robert F., Sneddon, Scott, Ashbrook, Sharon E.

المصدر: Dawson , D M , Moran , R F , Sneddon , S & Ashbrook , S E 2019 , ' Is the 31 P chemical shift anisotropy of aluminophosphates a useful parameter for NMR crystallography? ' , Magnetic Resonance in Chemistry , vol. 57 , no. 5 , pp. 176-190 . https://doi.org/10.1002/mrc.4788

مصطلحات موضوعية: Solid-state NMR spectroscopy, 31P, Chemical shift anisotropy, CSA, Aluminophosphates, AlPOs, DFT calculations

وصف الملف: application/pdf

الاتاحة: https://risweb.st-andrews.ac.uk/portal/en/researchoutput/is-the-31p-chemical-shift-anisotropy-of-aluminophosphates-a-useful-parameter-for-nmr-crystallography(044700df-7033-40cc-bb16-eac60031a6d9).html
https://doi.org/10.1002/mrc.4788
https://research-repository.st-andrews.ac.uk/bitstream/10023/18408/1/Ashbrook_2018_MRC_31PChemShift_AAM.pdf

المؤلفون: Murakami, Miwa, Noda, Yasuto, Takegoshi, K.

المساهمون: 村上, 美和, 野田, 泰斗, 竹腰, 清乃理, 60455269, 00631384

مصطلحات موضوعية: TiF₄, ¹⁹F chemical-shift anisotropy, DFT, Spinning sideband, Rotation-synchronized DANTE

وصف الملف: application/pdf

Relation: http://hdl.handle.net/2433/245036; Solid State Nuclear Magnetic Resonance; 101; 82; 88

الاتاحة: http://hdl.handle.net/2433/245036

المؤلفون: Kraus, Jodi, Gupta, Rupal, Lu, Manman, Gronenborn, Angela M., Akke, Mikael, Polenova, Tatyana

المصدر: ChemPhysChem. 21(13):1436-1443

مصطلحات موضوعية: Chemical shift anisotropy, microcrystalline protein, QM/MM, recoupling, solid-state NMR, Naturvetenskap, Kemi, Teoretisk kemi, Natural Sciences, Chemical Sciences, Theoretical Chemistry

URL الوصول: https://lup.lub.lu.se/record/b356855b-0feb-4f71-a945-0dcd9919e4fb
http://dx.doi.org/10.1002/cphc.202000249

المؤلفون: Aliev, AE, Bartók, AP, Yates, JR

المصدر: Solid State Nuclear Magnetic Resonance , 89 pp. 1-10. (2018)

مصطلحات موضوعية: Solid-state NMR, Chemical shift, Chemical shift anisotropy, Asymmetry, Oxides, Nanoparticles, Structure

وصف الملف: text

Relation: https://discovery.ucl.ac.uk/id/eprint/10038671/1/Aliev_22Nov17_Manuscript.pdf; https://discovery.ucl.ac.uk/id/eprint/10038671/

الاتاحة: https://discovery.ucl.ac.uk/id/eprint/10038671/1/Aliev_22Nov17_Manuscript.pdf
https://discovery.ucl.ac.uk/id/eprint/10038671/