-
1دورية أكاديمية
المؤلفون: Benjamin C. B. Symons, Dominic J. Williamson, Campbell M. Brooks, Alex L. Wilson, Prof. Paul L. A. Popelier
المصدر: ChemistryOpen, Vol 8, Iss 5, Pp 560-570 (2019)
مصطلحات موضوعية: quantum chemical topology (QCT), steric effects, van der Waals complexes, interacting quantum atoms (IQA), short-range repulsion potential, Chemistry, QD1-999
وصف الملف: electronic resource
Relation: https://doaj.org/toc/2191-1363
-
2
المؤلفون: Angus J. Robertson, Alex L. Wilson, Paul L. A. Popelier, Matthew J. Cliff, Jonathan P. Waltho, Matthew J. Burn
المصدر: Robertson, A J, Wilson, A L, Burn, M J, Cliff, M J, Popelier, P L A & Waltho, J P 2021, ' The Relationship between Enzyme Conformational Change, Proton Transfer, and Phosphoryl Transfer in β-Phosphoglucomutase ', ACS Catalysis, vol. 11, no. 21, pp. 12840-12849 . https://doi.org/10.1021/acscatal.1c01389
مصطلحات موضوعية: chemistry.chemical_classification, Conformational change, Proton, phosphoryl transfer, proton transfer, Chemistry, Stereochemistry, General Chemistry, ResearchInstitutes_Networks_Beacons/manchester_institute_of_biotechnology, enzyme catalysis, Catalysis, transition state analogue, Enzyme, Manchester Institute of Biotechnology, Phosphoglucomutase, relative energy gradient
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9568378f0234e49919adf17fa896169d
https://doi.org/10.1021/acscatal.1c01389 -
3
المؤلفون: Alex L. Wilson, Dominic J. Williamson, Benjamin C. B. Symons, Campbell M. Brooks, Paul L. A. Popelier
المصدر: ChemistryOpen, Vol 8, Iss 5, Pp 560-570 (2019)
ChemistryOpen
ChemistryOpen, Vol 8, Iss 5, Pp 553-553 (2019)مصطلحات موضوعية: Steric effects, Hydrogen, chemistry.chemical_element, Electron, 010402 general chemistry, Cover Profile, 01 natural sciences, lcsh:Chemistry, symbols.namesake, Physics::Atomic and Molecular Clusters, Van der Waals radius, Physics::Atomic Physics, van der Waals complexes, Quantum, quantum chemical topology (QCT), Condensed Matter::Quantum Gases, Physics, Full Paper, 010405 organic chemistry, interacting quantum atoms (IQA), Charge (physics), General Chemistry, Hydrogen atom, Full Papers, 0104 chemical sciences, lcsh:QD1-999, chemistry, Chemical physics, symbols, short-range repulsion potential, Deformation (engineering), steric effects
-
4
المؤلفون: Paul L. A. Popelier, Jonathan P. Waltho, Andrew J. Doig, Alex L. Wilson, Carlos Outeiral, Sarah E. Dowd, Andrew Almond
المصدر: Wilson, A, Outeiral Rubiera, C, Dowd, S, Doig, A, Popelier, P, Waltho, J & Almond, A 2020, ' Deconvolution of Conformational Exchange from Raman Spectra of Aqueous RNA Nucleosides ', Communications Chemistry, vol. 3, no. 56 . https://doi.org/10.1038/s42004-020-0298-x
Communications Chemistry, Vol 3, Iss 1, Pp 1-9 (2020)مصطلحات موضوعية: 010402 general chemistry, 01 natural sciences, Biochemistry, lcsh:Chemistry, chemistry.chemical_compound, symbols.namesake, Computational chemistry, 0103 physical sciences, Ribose, Materials Chemistry, Environmental Chemistry, Molecule, Conformational isomerism, Quantitative Biology::Biomolecules, Aqueous solution, 010304 chemical physics, RNA, General Chemistry, Ribonucleoside, Quantitative Biology::Genomics, 0104 chemical sciences, lcsh:QD1-999, chemistry, symbols, Deconvolution, Raman spectroscopy
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::85b94dcc989c1a0733b1180eea240d93
https://www.research.manchester.ac.uk/portal/en/publications/deconvolution-of-conformational-exchange-from-raman-spectra-of-aqueous-rna-nucleosides(a5757b4c-7ba0-48e6-9bf0-9f34cad56fae).html -
5
المؤلفون: Alex L. Wilson, Paul L. A. Popelier
المصدر: Wilson, A & Popelier, P 2016, ' Exponential Relationships Capturing Atomistic Short-Range Repulsion from the Interacting Quantum Atoms (IQA) Method ', The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol. 120, no. 48, pp. 9647-9659 . https://doi.org/10.1021/acs.jpca.6b10295
مصطلحات موضوعية: Condensed Matter::Quantum Gases, 010304 chemical physics, Chemistry, Electric potential energy, Intermolecular force, 010402 general chemistry, Kinetic energy, 01 natural sciences, 0104 chemical sciences, symbols.namesake, Quantum mechanics, 0103 physical sciences, Atom, Physics::Atomic and Molecular Clusters, symbols, Physics::Atomic Physics, Physical and Theoretical Chemistry, van der Waals force, Perturbation theory, Wave function, Buckingham potential
وصف الملف: application/vnd.openxmlformats-officedocument.wordprocessingml.document
-
6
المؤلفون: Benjamin C. B. Symons, Alex L. Wilson, Paul L. A. Popelier, Dominic J. Williamson, Campbell M. Brooks
مصطلحات موضوعية: Steric effects, Materials science, Front cover, Cover Pictures, General Chemistry, Deformation (meteorology), Molecular physics, Quantum, Energy (signal processing)
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::037446e323a2f4b14f140baa623f81a5
https://europepmc.org/articles/PMC6496690/ -
7
المؤلفون: Alex L. Wilson, Matthew J. Cliff, Sam Hay, Felix Rummel, Linus O. Johannissen, Sylwia Czarnota, Jonathan P. Waltho, Nigel S. Scrutton, Nicola J. Baxter, Colin Levy
المصدر: Czarnota, S, Johannissen, L O, Baxter, N J, Rummel, F, Wilson, A, Cliff, M J, Levy, C W, Scrutton, N S, Waltho, J P & Hay, S 2019, ' Equatorial active site compaction and electrostatic reorganization in catechol-O-methyltransferase ', ACS Catalysis, vol. 9, no. 5, pp. 4394-4401 . https://doi.org/10.1021/acscatal.9b00174
Czarnota, S, Johannissen, L O, Baxter, N J, Rummel, F, Wilson, A L, Cliff, M J, Levy, C W, Scrutton, N S, Waltho, J P & Hay, S 2019, ' Equatorial Active Site Compaction and Electrostatic Reorganization in Catechol-O-methyltransferase ', ACS Catalysis . https://doi.org/10.1021/acscatal.9b00174مصطلحات موضوعية: S-adenosyl- l -methionine, Methyltransferase, Stereochemistry, 010402 general chemistry, behavioral disciplines and activities, 01 natural sciences, Catalysis, Dopamine, mental disorders, medicine, sinefungin, Transferase, heterocyclic compounds, density functional theory, X-ray crystallography, chemistry.chemical_classification, Catechol-O-methyl transferase, biology, 010405 organic chemistry, organic chemicals, Active site, General Chemistry, Methylation, NMR, 0104 chemical sciences, enzyme, Enzyme, molecular dynamics simulation, chemistry, Catecholamine, biology.protein, bacteria, medicine.drug
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::96029cda3de5b5bb932e852a6e7d9f61
http://www.scopus.com/inward/record.url?scp=85065070674&partnerID=8YFLogxK -
8
المصدر: Hughes, Z E, Thacker, J C R, Wilson, A L & Popelier, P L A 2019, ' Description of Potential Energy Surfaces of Molecules Using FFLUX Machine Learning Models ', Journal of Chemical Theory and Computation, vol. 15, no. 1, pp. 116-126 . https://doi.org/10.1021/acs.jctc.8b00806
مصطلحات موضوعية: Physics, 010304 chemical physics, business.industry, Structure (category theory), Type (model theory), ResearchInstitutes_Networks_Beacons/manchester_institute_of_biotechnology, Machine learning, computer.software_genre, 01 natural sciences, Potential energy, Computer Science Applications, Maxima and minima, Kriging, Manchester Institute of Biotechnology, 0103 physical sciences, Molecule, Artificial intelligence, Physical and Theoretical Chemistry, business, computer, Quantum, Energy (signal processing)
وصف الملف: application/vnd.openxmlformats-officedocument.wordprocessingml.document
-
9Primary Source
المؤلفون: Alex. L. Wilson
المصدر: Evangelism in India: Correspondence of the Board of Foreign Mission, 1833-1910 : Board of Foreign Missions Correspondence and Reports, 1833-1911, India Mission, 1833-1910.
وصف الملف: Text
-
10Primary Source
المؤلفون: Alex L. Wilson
المصدر: Evangelism in India: Correspondence of the Board of Foreign Mission, 1833-1910 : Board of Foreign Missions Correspondence and Reports, 1833-1911, India Mission, 1833-1910.
وصف الملف: Text
Full Text Finder 
Find this issue from the American Chemical Society