المؤلفون: Ashbrook, Sharon E., Beran, Gregory J. O., Blahut, Jan, Blanc, Frederic, Bornes, Carlos, Brammer, Lee, Brown, Steven P., Charpentier, Thibault, Dracinsky, Martin, Dudek, Marta K., Emsley, Lyndon, Fleischer III, Carl H., Goodwin, Andrew L., Harper, Angela F., Harris, Kenneth D. M., Hodgkinson, Paul, Hope, Michael A., Hughes, Colan E., Kocher, Simone S., Li, Zhiyuan, Morris, Andrew J., Muller, Leonard J., Lill, Sten O. Nilsson, Price, Sarah L., Rhodes, Benjamin J., Torodii, Daria

المصدر: Ashbrook , S E , Beran , G J O , Blahut , J , Blanc , F , Bornes , C , Brammer , L , Brown , S P , Charpentier , T , Dracinsky , M , Dudek , M K , Emsley , L , Fleischer III , C H , Goodwin , A L , Harper , A F , Harris , K D M , Hodgkinson , P , Hope , M A , Hughes , C E , Kocher , S S , Li , Z , Morris , A J , ....

الاتاحة: https://research-portal.st-andrews.ac.uk/en/publications/ca40c282-b50b-463c-bf2d-421a7d86f7ca
https://doi.org/10.1039/d4fd90054e
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=pure_st-andrews_wos_starter&SrcAuth=WosAPI&KeyUT=WOS:001371707400001&DestLinkType=FullRecord&DestApp=WOS_CPL

المؤلفون: Ashbrook, Sharon E., Beran, Gregory J. O., Blahut, Jan, Blanc, Frederic, Brammer, Lee, Brough, Harry, Brown, Steven P., Bornes, Carlos, Charpentier, Thibault, Dracinsky, Martin, Dudek, Marta K., Emsley, Lyndon, Fellowes, Thomas, Gervais, Christel, Griffith, Kent J., Griffin, John, Goward, Gillian R., Hodgkinson, Paul, Hughes, Colan E., Hope, Michael A., Kocher, Simone S., Laurencin, Danielle, Li, Zhiyuan, Lill, Sten O. Nilsson, Morris, Andrew J., Mueller, Leonard J., Price, Sarah L., Yates, Jonathan R.

المصدر: Ashbrook , S E , Beran , G J O , Blahut , J , Blanc , F , Brammer , L , Brough , H , Brown , S P , Bornes , C , Charpentier , T , Dracinsky , M , Dudek , M K , Emsley , L , Fellowes , T , Gervais , C , Griffith , K J , Griffin , J , Goward , G R , Hodgkinson , P , Hughes , C E , Hope , M A , Kocher , S S , Laurencin , D , Li ....

الاتاحة: https://research-portal.st-andrews.ac.uk/en/publications/3e637468-ae7b-4efd-ba6f-23faf5249c9e
https://doi.org/10.1039/d4fd90055c
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=pure_st-andrews_wos_starter&SrcAuth=WosAPI&KeyUT=WOS:001370885900001&DestLinkType=FullRecord&DestApp=WOS_CPL

المؤلفون: Ashbrook, Sharon E., Beran, Gregory J. O., Blahut, Jan, Blanc, Frédéric, Brammer, Lee, Brough, Harry, Brown, Steven P., Bornes, Carlos, Charpentier, Thibault, Dracinsky, Martin, Dudek, Marta K., Emsley, Lyndon, Fellowes, Thomas, Gervais, Christel, Griffith, Kent J., Griffin, John, Goward, Gillian R., Hodgkinson, Paul, Hughes, Colan E., Hope, Michael A.

المصدر: Faraday Discussions; 2025, Issue 255, p288-310, 23p

المؤلفون: Ashbrook, Sharon E., Beran, Gregory J. O., Blahut, Jan, Blanc, Frédéric, Bornes, Carlos, Brammer, Lee, Brown, Steven P., Charpentier, Thibault, Dračínský, Martin, Dudek, Marta K., Emsley, Lyndon, Fleischer, Carl H., Goodwin, Andrew L., Harper, Angela F., Harris, Kenneth D. M., Hodgkinson, Paul, Hope, Michael A., Hughes, Colan E., Köcher, Simone S., Li, Zhiyuan

المصدر: Faraday Discussions; 2025, Issue 255, p159-191, 33p

المؤلفون: Ramos, Sebastian A., Mueller, Leonard J., Beran, Gregory J. O.

المصدر: Faraday Discussions; 2025, Issue 255, p119-142, 24p

المؤلفون: Beran, Gregory J. O.¹ (AUTHOR) gregory.beran@ucr.edu, Cook, Cameron J.¹ (AUTHOR), Unzueta, Pablo A.¹ (AUTHOR)

المصدر: Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials. Dec2024, Vol. 80 Issue 6, p606-619. 14p.

مصطلحات موضوعية: *DENSITY functionals, *PERTURBATION theory, *NATURAL orbitals, *DISCREPANCY theorem, *CRYSTAL structure

المؤلفون: Hunnisett, Lily M., Francia, Nicholas, Nyman, Jonas, Abraham, Nathan S., Aitipamula, Srinivasulu, Alkhidir, Tamador, Almehairbi, Mubarak, Anelli, Andrea, Anstine, Dylan M., Anthony, John E., Arnold, Joseph E., Bahrami, Faezeh, Bellucci, Michael A., Beran, Gregory J. O., Bhardwaj, Rajni M., Bianco, Raffaello, Bis, Joanna A., Boese, A. Daniel, Bramley, James, Braun, Doris E.

المصدر: Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials; Dec2024, Vol. 80 Issue 6, p548-574, 27p

مصطلحات موضوعية: MACHINE learning, SERVER farms (Computer network management), CRYSTAL structure, STRUCTURAL stability, DATABASES

المؤلفون: Beran, Gregory J. O.

المساهمون: National Science Foundation

المصدر: Chemical Science ; volume 14, issue 46, page 13290-13312 ; ISSN 2041-6520 2041-6539

الاتاحة: http://dx.doi.org/10.1039/d3sc03903j
http://pubs.rsc.org/en/content/articlepdf/2023/SC/D3SC03903J

المؤلفون: Cook, Cameron J., Li, Wangxiang, Lui, Brandon F., Gately, Thomas J., Al-Kaysi, Rabih O., Mueller, Leonard J., Bardeen, Christopher J., Beran, Gregory J. O.

المساهمون: National Institutes of Health, Office of Naval Research, National Science Foundation

المصدر: Chemical Science ; volume 14, issue 4, page 937-949 ; ISSN 2041-6520 2041-6539

الاتاحة: http://dx.doi.org/10.1039/d2sc05549j
http://pubs.rsc.org/en/content/articlepdf/2023/SC/D2SC05549J

المؤلفون: Gately, Thomas J., Perry, Cody J., Weiss, Sophie, Lam, Kevin, Islam, Imadul, Almtiri, Mohammed N., Carta, Veronica, Beran, Gregory J. O., Al-Kaysi, Rabih O., Bardeen, Christopher J.

المصدر: Crystal Growth & Design; 11/20/2024, Vol. 24 Issue 22, p9544-9555, 12p

المؤلفون: Ghate, Pranaya P., Perry, Cody J., Carta, Veronica, Bushnak, Ibraheem, Almuallem, Yahya J., Beran, Gregory J. O., Bardeen, Christopher J., Al-Kaysi, Rabih O.

المصدر: Crystal Growth & Design; 9/18/2024, Vol. 24 Issue 18, p7695-7703, 9p

المؤلفون: Beran, Gregory J. O., Wright, Sarah E, Greenwell, Chandler, Cruz-cabeza, Aurora

المصدر: Beran , G J O , Wright , S E , Greenwell , C & Cruz-cabeza , A 2022 , ' The interplay of intra- and intermolecular errors in modeling conformational polymorphs ' , The Journal of chemical physics . https://doi.org/10.1063/5.0088027

وصف الملف: application/pdf

Relation: https://research.manchester.ac.uk/en/publications/f4fc41c6-b865-4e86-9d67-90a067fe1172

الاتاحة: https://research.manchester.ac.uk/en/publications/f4fc41c6-b865-4e86-9d67-90a067fe1172
https://doi.org/10.1063/5.0088027
https://pure.manchester.ac.uk/ws/files/212349407/Beran_2022_JournalOfChemicalPhysics.pdf
https://aip.scitation.org/doi/10.1063/5.0088027

المؤلفون: Beran, Gregory J. O., Sugden, Isaac J., Greenwell, Chandler, Bowskill, David H., Pantelides, Constantinos C., Adjiman, Claire S.

المساهمون: Division of Chemistry, Syngenta International, Engineering and Physical Sciences Research Council, Eli Lilly and Company

المصدر: Chemical Science ; volume 13, issue 5, page 1288-1297 ; ISSN 2041-6520 2041-6539

الاتاحة: http://dx.doi.org/10.1039/d1sc06074k
http://pubs.rsc.org/en/content/articlepdf/2022/SC/D1SC06074K

المؤلفون: Rana, Bhaskar, Beran, Gregory J. O., Herbert, John M.

المساهمون: National Science Foundation, XSEDE

المصدر: Molecular Physics ; volume 121, issue 7-8 ; ISSN 0026-8976 1362-3028

الاتاحة: http://dx.doi.org/10.1080/00268976.2022.2138789
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2022.2138789

المؤلفون: Ramos, Sebastian A, Mueller, Leonard J, Beran, Gregory J O

المصدر: Faraday Discuss ; ISSN:1364-5498

Relation: https://doi.org/10.1039/d4fd00072b; https://pubmed.ncbi.nlm.nih.gov/39258864

الاتاحة: https://doi.org/10.1039/d4fd00072b
https://pubmed.ncbi.nlm.nih.gov/39258864

المؤلفون: Kitagawa, Daichi, Tomoda, Rei, Ramos, Sebastian A., Beran, Gregory J. O., Bardeen, Christopher J., Kobatake, Seiya

المساهمون: Japan Society for the Promotion of Science London, Iketani Science and Technology Foundation, National Science Foundation, Office of Naval Research

المصدر: Angewandte Chemie International Edition ; ISSN 1433-7851 1521-3773

الاتاحة: https://doi.org/10.1002/anie.202420243
https://onlinelibrary.wiley.com/doi/pdf/10.1002/anie.202420243

المؤلفون: Chalek, Kevin R., Dong, Xinning, Tong, Fei, Kudla, Ryan A., Zhu, Lingyan, Gill, Adam D., Xu, Wenwen, Yang, Chen, Hartman, Joshua D., Magalhães, Alviclér, Al-Kaysi, Rabih O., Hayward, Ryan C., Hooley, Richard J., Beran, Gregory J. O., Bardeen, Christopher J., Mueller, Leonard J.

المساهمون: Office of Naval Research, National Institute of General Medical Sciences, National Science Foundation

المصدر: Chemical Science ; volume 12, issue 1, page 453-463 ; ISSN 2041-6520 2041-6539

الاتاحة: http://dx.doi.org/10.1039/d0sc05118g
http://pubs.rsc.org/en/content/articlepdf/2021/SC/D0SC05118G

المؤلفون: Chalek, Kevin R., Dong, Xinning, Tong, Fei, Kudla, Ryan A., Zhu, Lingyan, Gill, Adam D., Xu, Wenwen, Yang, Chen, Hartman, Joshua D., Magalhães, Alviclér, A-Kaysi, Rabih O., Hayward, Ryan C., Hooley, Richard J., Beran, Gregory J. O., Bardeen, Christopher J., Mueller, Leonard J.

المصدر: Publications

وصف الملف: application/pdf

Relation: https://scholarworks.umass.edu/muri_pubs/23; https://scholarworks.umass.edu/context/muri_pubs/article/1022/viewcontent/d0sc05118g.pdf

الاتاحة: https://scholarworks.umass.edu/muri_pubs/23
https://doi.org/10.1039/D0SC05118G
https://scholarworks.umass.edu/context/muri_pubs/article/1022/viewcontent/d0sc05118g.pdf

المؤلفون: Greenwell, Chandler, McKinley, Jessica L., Zhang, Peiyu, Zeng, Qun, Sun, Guangxu, Li, Bochen, Wen, Shuhao, Beran, Gregory J. O.

المساهمون: National Institutes of Health, Division of Chemistry

المصدر: Chemical Science ; volume 11, issue 8, page 2200-2214 ; ISSN 2041-6520 2041-6539

الاتاحة: http://dx.doi.org/10.1039/c9sc05689k
http://pubs.rsc.org/en/content/articlepdf/2020/SC/C9SC05689K

المؤلفون: Greenwell, Chandler, Beran, Gregory J. O.

المساهمون: Division of Chemistry

المصدر: Crystal Growth & Design ; volume 20, issue 8, page 4875-4881 ; ISSN 1528-7483 1528-7505

الاتاحة: http://dx.doi.org/10.1021/acs.cgd.0c00676
http://pubs.acs.org/doi/pdf/10.1021/acs.cgd.0c00676
https://pubs.acs.org/doi/pdf/10.1021/acs.cgd.0c00676