المؤلفون: Isabel Vázquez-Fernández (1814059), Kacper Drużbicki (1591654), Felix Fernandez-Alonso (1700647), Sanghamitra Mukhopadhyay (3872344), Peter Nockemann (1607422), Stewart F. Parker (1311462), Svemir Rudić (1302600), Simona-Maria Stana (11613602), John Tomkinson (1953814), Darius J. Yeadon (11613605), Kenneth R. Seddon (1416214), Natalia V. Plechkova (1416208)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Biotechnology, Immunology, Mental Health, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, spectral features observed, inelastic neutron scattering, findings also enable, experimental data along, distinct modes related, depth physicochemical understanding, ins data highlight, broadband ins experiments, protonic il systems, ubiquitous feature, two counterions, structurally characterized, spectroscopic signatures, perdeuterated analogue, nh ···, necessary step, ionic liquid, important class, freedom within, exhaustive assignment, diethylammonium nitrate

Relation: https://figshare.com/articles/journal_contribution/Spectroscopic_Signatures_of_Hydrogen-Bonding_Motifs_in_Protonic_Ionic_Liquid_Systems_Insights_from_Diethylammonium_Nitrate_in_the_Solid_State/16887353

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c05137.s001

المؤلفون: Liang Yu (207992), Xue Han (25073), Hao Wang (39217), Saif Ullah (2360377), Qibin Xia (1265553), Weiyao Li (4319503), Jiangnan Li (658317), Ivan da Silva (2878130), Pascal Manuel (1549624), Svemir Rudić (1302600), Yongqiang Cheng (1428478), Sihai Yang (32385), Timo Thonhauser (1631194), Jing Li (10611)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Sociology, Space Science, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, neutron powder diffraction, distorted pore structure, designed pore distortion, adsorbed propylene molecules, pore distortion, via <, study presents, situ <, regulated separation, porous solids, new benchmark, excellent separation, challenging line, binding domains, adsorptive separation, adsorption capacity, 298 k, 2 mmol, 1 bar

Relation: https://figshare.com/articles/journal_contribution/Pore_Distortion_in_a_Metal_Organic_Framework_for_Regulated_Separation_of_Propane_and_Propylene/17014697

الاتاحة: https://doi.org/10.1021/jacs.1c10423.s001

المؤلفون: Yujie Ma (461115), Xue Han (25073), Shaojun Xu (3026745), Zi Wang (324031), Weiyao Li (4319503), Ivan da Silva (2878130), Sarayute Chansai (1848565), Daniel Lee (715414), Yichao Zou (1603303), Marek Nikiel (11153732), Pascal Manuel (1549624), Alena M. Sheveleva (1304760), Floriana Tuna (1315404), Eric J. L. McInnes (7358465), Yongqiang Cheng (1428478), Svemir Rudić (1302600), Anibal J. Ramirez-Cuesta (1364037), Sarah J. Haigh (1299489), Christopher Hardacre (1424095), Martin Schröder (1300113), Sihai Yang (32385)

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, EPR, single-atom catalysts, copper sites, N 2, nonthermal plasma activation, formation, atomically, MOF, resonance spectroscopy, UiO -66, catalysi, high-angle annular dark-field scann., role, NMR, Cu, Atomically Dispersed Copper Sites, conversion, neutron powder diffraction

Relation: https://figshare.com/articles/journal_contribution/Atomically_Dispersed_Copper_Sites_in_a_Metal_Organic_Framework_for_Reduction_of_Nitrogen_Dioxide/15016331

الاتاحة: https://doi.org/10.1021/jacs.1c03036.s001

المؤلفون: Xue Han (25073), Wanpeng Lu (9322020), Yinlin Chen (10170927), Ivan da Silva (2878130), Jiangnan Li (658317), Longfei Lin (5917031), Weiyao Li (4319503), Alena M. Sheveleva (1304760), Harry G. W. Godfrey (9374065), Zhenzhong Lu (2070313), Floriana Tuna (1315404), Eric J. L. McInnes (7358465), Yongqiang Cheng (1428478), Luke L. Daemen (1818202), Laura J. M McPherson (10170930), Simon J. Teat (1304670), Mark D. Frogley (1415425), Svemir Rudić (1302600), Pascal Manuel (1549624), Anibal J. Ramirez-Cuesta (1364037), Sihai Yang (32385), Martin Schröder (1300113)

مصطلحات موضوعية: Biochemistry, Microbiology, Cell Biology, Molecular Biology, Evolutionary Biology, Ecology, Developmental Biology, Plant Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, single-crystal X-ray diffraction, High Ammonia Adsorption, V III, material, series, capacity, MFM, mmol, NH 3, MOF, N 2 H 4, Fe, redox-active V center, Cr, NH 3 adsorption, application, DFT, IV, neutron powder diffraction

Relation: https://figshare.com/articles/journal_contribution/High_Ammonia_Adsorption_in_MFM-300_Materials_Dynamics_and_Charge_Transfer_in_Host_Guest_Binding/14067354

الاتاحة: https://doi.org/10.1021/jacs.0c11930.s001

المؤلفون: Isabel Vázquez-Fernández (1814059), Kacper Drużbicki (1591654), Felix Fernandez-Alonso (1700647), Sanghamitra Mukhopadhyay (3872344), Peter Nockemann (1607422), Stewart F. Parker (1311462), Svemir Rudić (1302600), Simona-Maria Stana (11613602), John Tomkinson (1953814), Darius J. Yeadon (11613605), Kenneth R. Seddon (1416214), Natalia V. Plechkova (1416208)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Biotechnology, Immunology, Mental Health, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, spectral features observed, inelastic neutron scattering, findings also enable, experimental data along, distinct modes related, depth physicochemical understanding, ins data highlight, broadband ins experiments, protonic il systems, ubiquitous feature, two counterions, structurally characterized, spectroscopic signatures, perdeuterated analogue, nh ···, necessary step, ionic liquid, important class, freedom within, exhaustive assignment, diethylammonium nitrate

Relation: https://figshare.com/articles/dataset/Spectroscopic_Signatures_of_Hydrogen-Bonding_Motifs_in_Protonic_Ionic_Liquid_Systems_Insights_from_Diethylammonium_Nitrate_in_the_Solid_State/16887356

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c05137.s002

المؤلفون: Isabel Vázquez-Fernández (1814059), Kacper Drużbicki (1591654), Felix Fernandez-Alonso (1700647), Sanghamitra Mukhopadhyay (3872344), Peter Nockemann (1607422), Stewart F. Parker (1311462), Svemir Rudić (1302600), Simona-Maria Stana (11613602), John Tomkinson (1953814), Darius J. Yeadon (11613605), Kenneth R. Seddon (1416214), Natalia V. Plechkova (1416208)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Biotechnology, Immunology, Mental Health, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, spectral features observed, inelastic neutron scattering, findings also enable, experimental data along, distinct modes related, depth physicochemical understanding, ins data highlight, broadband ins experiments, protonic il systems, ubiquitous feature, two counterions, structurally characterized, spectroscopic signatures, perdeuterated analogue, nh ···, necessary step, ionic liquid, important class, freedom within, exhaustive assignment, diethylammonium nitrate

Relation: https://figshare.com/articles/dataset/Spectroscopic_Signatures_of_Hydrogen-Bonding_Motifs_in_Protonic_Ionic_Liquid_Systems_Insights_from_Diethylammonium_Nitrate_in_the_Solid_State/16887359

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c05137.s003

المؤلفون: Xue Han (25073), Wanpeng Lu (9322020), Yinlin Chen (10170927), Ivan da Silva (2878130), Jiangnan Li (658317), Longfei Lin (5917031), Weiyao Li (4319503), Alena M. Sheveleva (1304760), Harry G. W. Godfrey (9374065), Zhenzhong Lu (2070313), Floriana Tuna (1315404), Eric J. L. McInnes (7358465), Yongqiang Cheng (1428478), Luke L. Daemen (1818202), Laura J. M McPherson (10170930), Simon J. Teat (1304670), Mark D. Frogley (1415425), Svemir Rudić (1302600), Pascal Manuel (1549624), Anibal J. Ramirez-Cuesta (1364037), Sihai Yang (32385), Martin Schröder (1300113)

مصطلحات موضوعية: Biochemistry, Microbiology, Cell Biology, Molecular Biology, Evolutionary Biology, Ecology, Developmental Biology, Plant Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, single-crystal X-ray diffraction, High Ammonia Adsorption, V III, material, series, capacity, MFM, mmol, NH 3, MOF, N 2 H 4, Fe, redox-active V center, Cr, NH 3 adsorption, application, DFT, IV, neutron powder diffraction

Relation: https://figshare.com/articles/dataset/High_Ammonia_Adsorption_in_MFM-300_Materials_Dynamics_and_Charge_Transfer_in_Host_Guest_Binding/14067357

الاتاحة: https://doi.org/10.1021/jacs.0c11930.s002

المؤلفون: Leonardo del Rosso (9175470), Milva Celli (1368489), Daniele Colognesi (1376394), Svemir Rudić (1302600), Niall J. English (1332720), Lorenzo Ulivi (1368486)

مصطلحات موضوعية: Medicine, Pharmacology, Sociology, Cancer, Space Science, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, new accurate measurements, innovative simulation tool, centroid molecular dynamics, polycrystalline ice ic, exploring ice polymorphism, cubic ice ic, ice xvii, ice structures, ice ih, water molecules, two forms, scientific effort, reproduced semiquantitatively, remarkable accuracy, quantitatively measurable, phonon states, elusive phases, dynamical properties, deuterated counterpart, computational methods

Relation: https://figshare.com/articles/journal_contribution/Density_of_Phonon_States_in_Cubic_Ice_Ic/16808017

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c07647.s001

المؤلفون: Erwin Lalik (1563586), Kacper Drużbicki (1591654), Gavin Irvine (8286318), Matthias Gutmann (743990), Svemir Rudić (1302600), Pascal Manuel (1549624), Václav Petříček (2047984), Matthew Krzystyniak (11586298)

مصطلحات موضوعية: Biophysics, Inorganic Chemistry, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, wall carbon nanotubes, simulations allows us, effective classical temperatures, conformational freedom due, computational route toward, ab initio <, neutron scattering study, neutron compton scattering, inelastic neutron scattering, hydrogen momentum distribution, temperature phonon calculations, phonon calculations due, crystal structure based, 2 , temperature ins experiments, resolution ins experiments, ncs data reveals, employ neutron, dimensional hydrogen, crystallographic data, analysis reveals, vibrational dynamics, tungstic acid, structural properties

Relation: https://figshare.com/articles/journal_contribution/Interplay_between_Local_Structure_and_Nuclear_Dynamics_in_Tungstic_Acid_A_Neutron_Scattering_Study/16837849

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c05121.s001

المؤلفون: Erwin Lalik (1563586), Kacper Drużbicki (1591654), Gavin Irvine (8286318), Matthias Gutmann (743990), Svemir Rudić (1302600), Pascal Manuel (1549624), Václav Petříček (2047984), Matthew Krzystyniak (11586298)

مصطلحات موضوعية: Biophysics, Inorganic Chemistry, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, wall carbon nanotubes, simulations allows us, effective classical temperatures, conformational freedom due, computational route toward, ab initio <, neutron scattering study, neutron compton scattering, inelastic neutron scattering, hydrogen momentum distribution, temperature phonon calculations, phonon calculations due, crystal structure based, 2 , temperature ins experiments, resolution ins experiments, ncs data reveals, employ neutron, dimensional hydrogen, crystallographic data, analysis reveals, vibrational dynamics, tungstic acid, structural properties

Relation: https://figshare.com/articles/dataset/Interplay_between_Local_Structure_and_Nuclear_Dynamics_in_Tungstic_Acid_A_Neutron_Scattering_Study/16837852

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c05121.s002