SAMEERA W.M.C ＳａｍｅｅｒａＷ．Ｍ．Ｃ．

… Alternative Names

Sameera W.M.C. Sameera W.M.C.

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Researcher Number	90791278
Other IDs	https://orcid.org/0000-0003-0213-0688
Affiliation (Current)	2024: 北海道大学, 低温科学研究所, 外国人客員研究員
Affiliation (based on the past Project Information) *help	2022 – 2024: 北海道大学, 低温科学研究所, 外国人客員研究員 2018 – 2021: 北海道大学, 低温科学研究所, 特任助教 2017: 北海道大学, 理学研究院, 博士研究員
Review Section/Research Field	Principal Investigator Transformative Research Areas, Section (II) / Basic Section 17010:Space and planetary sciences-related Except Principal Investigator Medium-sized Section 17:Earth and planetary science and related fields / Science and Engineering
Keywords	Principal Investigator QM/MM / DFT / Reaction mechanisms / Binding energy / Radicals on ice surfaces / Quantum Tunneling / Computational Chemistry / Quantum Chemistry / Mechanisms / Radicals … More / MC-AFIR / interstellar medium / organic molecules / radical reactions / quantum chemistry / radical diffusion / astrochemistry / QM/MM methods / Radical species / Interstellar medium … More Except Principal Investigator 表面拡散 / ラジカル / 分子進化 / 星間塵 / 有機化学 / 化学物理 / 計算化学 / 密度汎関数法 / 遷移状態 / 理論化学 / 人工力誘起反応法 / 反応経路自動探索 Less

ラジカルの拡散が活性化させる星間塵表面での分子進化：複雑有機分子生成の鍵
- Principal Investigator
  
  渡部直樹
- Project Period (FY)
  2022 – 2026
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Review Section
  
  Medium-sized Section 17:Earth and planetary science and related fields
- Research Institution
  Hokkaido University
Quantum Chemical Determination of the Complex Organic Molecules Formation in the Interstellar MediumPrincipal Investigator
- Principal Investigator
  
  Sameera W.M.C.
- Project Period (FY)
  2021 – 2022
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (A)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  Hokkaido University
Multiscale modeling of radical diffusion and radical reactions on interstellar icesPrincipal Investigator
- Principal Investigator
  
  Sameera W.M.C.
- Project Period (FY)
  2019 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 17010:Space and planetary sciences-related
- Research Institution
  Hokkaido University
Elucidation of mechanism and etraction of key for hybrid catalytic systems based on the automated reaction path search method
- Principal Investigator
  
  Hatanaka Miho
- Project Period (FY)
  2017 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Keio University
  Nara Institute of Science and Technology

All 2023 2022 2021 2020 2019 2018 2017

All Journal Article Presentation Book

[Book] Automated Mechanism Discovery, Comprehensive Computational Chemistry2022
- Author(s)
  W. M. C. Sameera, Y. Sumiya, B. B. Skjelstad, S. Maeda
- Publisher
  Elsevier
- Data Source
  KAKENHI-PROJECT-19K03940
[Book] Transition Metal Catalyzed Cross-coupling and Nitrogen Reduction Reactions: Lessons from Computational Studies2022
- Author(s)
  W. M. C. Sameera, Y. Takeda, Y. Ohki
- Publisher
  Elsevier
- Data Source
  KAKENHI-PROJECT-19K03940
[Book] Elsevier Publishing2022
- Author(s)
  W. M. C. Sameera, Y. Sumiya, B. B. Skjelstad, S. Maeda
- Publisher
  Automated Mechanism Discovery, Comprehensive Computational Chemistry
- Data Source
  KAKENHI-PUBLICLY-21H05416
[Book] Transition Metal Catalyzed Cross-coupling and Nitrogen Reduction Reactions: Lessons from Computational Studies2022
- Author(s)
  W. M. C. Sameera, Y. Takeda, Y. Ohki
- Publisher
  Elsevier Publishing
- Data Source
  KAKENHI-PUBLICLY-21H05416
[Book] "Predicting reaction pathways from reactants", Applied Theoretical Chemistry2018
- Author(s)
  Romain Ramozzi, W. M. C. Sameera, Keiji Morokuma
- Total Pages
  624
- Publisher
  World scientific publishing
- ISBN
  9781786344083
- Data Source
  KAKENHI-PLANNED-17H06445
[Journal Article] A systematic mechanistic survey on the reactions between OH radical and CH3OH on ice2023
- Author(s)
  W. M. C. Sameera, A. P. Jayaweera, A. Ishibashi, H. Hidaka, Y. Oba, N. Watanabe
- Journal Title
  
  Faraday Discuss.
  
  Volume: - Pages: 508-518
- DOI
  10.1039/d3fd00033h
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H05416, KAKENHI-PROJECT-20J21681
[Journal Article] Surface Reaction of Methyl Mercaptan (CH<sub>3</sub>SH) with Hydrogen Atoms on Amorphous Solid Water2023
- Author(s)
  Nguyen Thanh、Oba Yasuhiro、Sameera W. M. C.、Furuya Kenji、Kouchi Akira、Watanabe Naoki
- Journal Title
  
  The Astrophysical Journal
  
  Volume: 944 Issue: 2 Pages: 219-219
- DOI
  10.3847/1538-4357/acafde
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H05414, KAKENHI-PUBLICLY-21H05416, KAKENHI-PROJECT-21H04501, KAKENHI-PROJECT-22H00159, KAKENHI-PROJECT-22KF0001, KAKENHI-PLANNED-20H05847
[Journal Article] Modelling the radical chemistry on ice surfaces: an integrated quantum chemical and experimental approach2022
- Author(s)
  W. M. C. Sameera, B. Senevirathne, T. Nguyen, Y. Oba, A. Ishibashi, M. Tsuge, H. Hidaka, N. Watanabe
- Journal Title
  
  Front. Astron. Space Sci.
  
  Volume: 9 Pages: 1-7
- DOI
  10.3389/fspas.2022.890161
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H05416, KAKENHI-PROJECT-22H00159, KAKENHI-PROJECT-20J21681, KAKENHI-PROJECT-22KF0001, KAKENHI-PLANNED-20H05847
[Journal Article] Palladium‐Catalyzed Regioselective and Stereospecific Ring‐Opening Suzuki‐Miyaura Arylative Cross‐Coupling of 2‐Arylazetidines with Arylboronic Acids2021
- Author(s)
  Takeda Youhei、Toyoda Kazuya、Sameera W. M. C.、Tohnai Norimitsu、Minakata Satoshi
- Journal Title
  
  Advanced Synthesis & Catalysis
  
  Volume: 363 Issue: 11 Pages: 2796-2805
- DOI
  10.1002/adsc.202100195
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06445, KAKENHI-PROJECT-20H02548
[Journal Article] Delivery of electrons by proton-hole transfer in ice at 10 K: Role of surface OH radicals2021
- Author(s)
  K. Kitajima, Y. Nakai, W. M. C. Sameera, M. Tsuge, A. Miyazaki, H. Hidaka, A. Kouchi, N. Watanabe
- Journal Title
  
  J. Phys. Chem. Lett.
  
  Volume: 12 Issue: 1 Pages: 704-710
- DOI
  10.1021/acs.jpclett.0c03345
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K03940, KAKENHI-PROJECT-19K21887, KAKENHI-PROJECT-20K14534, KAKENHI-PROJECT-19K23450, KAKENHI-PROJECT-17H06087, KAKENHI-PROJECT-18H01273
[Journal Article] Successive H-atom Addition to Solid OCS on Compact Amorphous Solid Water2021
- Author(s)
  Nguyen Thanh、Oba Yasuhiro、Sameera W. M. C.、Kouchi Akira、Watanabe Naoki
- Journal Title
  
  The Astrophysical Journal
  
  Volume: 922 Issue: 2 Pages: 146-146
- DOI
  10.3847/1538-4357/ac2238
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K03940, KAKENHI-PROJECT-19K21887, KAKENHI-PROJECT-21K13974, KAKENHI-PROJECT-17H06087, KAKENHI-PUBLICLY-21H05414, KAKENHI-PUBLICLY-21H05416, KAKENHI-PROJECT-21H04501, KAKENHI-PROJECT-22KF0001
[Journal Article] Experimental and Computational Studies on the Physicochemical Behavior of Phosphine Induced by Reactions with H and D Atoms on Interstellar Ice Grains2021
- Author(s)
  Nguyen Thanh、Oba Yasuhiro、Sameera W. M. C.、Kouchi Akira、Watanabe Naoki
- Journal Title
  
  The Astrophysical Journal
  
  Volume: 918 Issue: 2 Pages: 73-73
- DOI
  10.3847/1538-4357/ac0cf4
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K03940, KAKENHI-PROJECT-19K21887, KAKENHI-PROJECT-17H06087, KAKENHI-PROJECT-21H04501, KAKENHI-PROJECT-22KF0001
[Journal Article] Siloxy Esters as Traceless Activators of Carboxylic Acids: Boron‐Catalyzed Chemoselective Asymmetric Aldol Reaction**2021
- Author(s)
  Fujita Taiki、Yamane Mina、Sameera W. M. C.、Mitsunuma Harunobu、Kanai Motomu
- Journal Title
  
  Angewandte Chemie International Edition
  
  Volume: 60 Issue: 46 Pages: 24598-24604
- DOI
  10.1002/anie.202109788
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-17H06445, KAKENHI-PROJECT-19J22372, KAKENHI-PROJECT-21K15220, KAKENHI-PLANNED-20H05843
[Journal Article] CH3O radical binding on hexagonal water ice and amorphous solid water2021
- Author(s)
  W. M. C. Sameera, B. Senevirathne, S. Andersson, M. Al-lbadi, H. Hidaka, A. Kouchi, G. Nyman, N. Watanabe
- Journal Title
  
  J. Phy. Chem. A
  
  Volume: 125 Issue: 1 Pages: 387-393
- DOI
  10.1021/acs.jpca.0c09111
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K03940, KAKENHI-PROJECT-19K21887, KAKENHI-PROJECT-17H06087, KAKENHI-PROJECT-18H01273
[Journal Article] Photostimulated desorption of OH radicals from amorphous solid water: Evidence for the interaction of visible light with an OH-ice complex2020
- Author(s)
  A. Miyazaki, N. Watanabe, W. M. C. Sameera, Y. Nakai, M. Tsuge, T. Hama, H. Hidaka, A. Kouchi
- Journal Title
  
  Phys. Rev. A
  
  Volume: 102 Issue: 5 Pages: 052822-052822
- DOI
  10.1103/physreva.102.052822
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K03940, KAKENHI-PROJECT-19K21887, KAKENHI-PROJECT-18H01262, KAKENHI-PROJECT-19K22901, KAKENHI-PROJECT-17H06087, KAKENHI-PLANNED-20H05849, KAKENHI-PROJECT-18H01273
[Journal Article] Palladium-Catalyzed Regioselective and Stereospecific Ring-Opening Cross-Coupling of Aziridines: Experimental and Computational Studies2020
- Author(s)
  Takeda Youhei、Sameera W. M. C.、Minakata Satoshi
- Journal Title
  
  Accounts of Chemical Research
  
  Volume: 53 Issue: 8 Pages: 1686-1702
- DOI
  10.1021/acs.accounts.0c00395
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-17H06445
[Journal Article] Synthesis of Dinuclear Mo‐Fe Hydride Complexes and Catalytic-Silylation of N22020
- Author(s)
  Ishihara Kodai、Araki Yuna、Tada Mizuki、Takayama Tsutomu、Sakai Yoichi、Sameera W. M. C.、Ohki Yasuhiro
- Journal Title
  
  Chemistry: A European Journal
  
  Volume: - Issue: 43 Pages: 9537-9546
- DOI
  10.1002/chem.202000104
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-17H06445, KAKENHI-PUBLICLY-18H04246, KAKENHI-PROJECT-19H02733
[Journal Article] A dinuclear Mo2H8 complex supported by bulky C5H2 tBu3 ligands2020
- Author(s)
  Yasuhiro Ohki, Kodai Ishihara, Moeko Yaoi, Mizuki Tada, W. M. C. Sameera, Roger E. Cramer
- Journal Title
  
  Chem. Commun.
  
  Volume: 56 Issue: 58 Pages: 8035-8038
- DOI
  10.1039/d0cc03274c
- NAID
  120006941036
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K21207, KAKENHI-PLANNED-17H06445, KAKENHI-PROJECT-19H02733
[Journal Article] Asymmetric Synthesis of β 2‐Aryl Amino Acids through Pd‐Catalyzed Enantiospecific and Regioselective Ring‐Opening Suzuki-Miyaura Arylation of Aziridine‐2‐carboxylates2019
- Author(s)
  Takeda Youhei、Matsuno Tetsuya、Sharma Akhilesh K.、Sameera W. M. C.、Minakata Satoshi
- Journal Title
  
  Chemistry: A European Journal
  
  Volume: 25 Issue: 43 Pages: 10226-10231
- DOI
  10.1002/chem.201902009
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-17H06445, KAKENHI-PROJECT-19H02716
[Journal Article] Luminescent ionic liquids based on cyclometalated platinum(II) complexes exhibiting thermochromic behaviour in different colour regions2018
- Author(s)
  Ogawa Tomohiro、Sameera W. M. C.、Yoshida Masaki、Kobayashi Atsushi、Kato Masako
- Journal Title
  
  Dalton Transactions
  
  Volume: 47 Issue: 16 Pages: 5589-5594
- DOI
  10.1039/c8dt00651b
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-17H06367, KAKENHI-PLANNED-17H06445, KAKENHI-PROJECT-16J01368, KAKENHI-PROJECT-15K17827
[Journal Article] Antimicrobial silver (I) complexes derived from aryl-benzothiazoles as turn-on sensors: Syntheses, properties and density functional studies2018
- Author(s)
  Stenger-Smith Jenny、Chakraborty Indranil、Sameera W.M.C.、Mascharak Pradip K.
- Journal Title
  
  Inorganica Chimica Acta
  
  Volume: 471 Pages: 326-335
- DOI
  10.1016/j.ica.2017.11.022
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06445
[Journal Article] DFT and AFIR Study on the Mechanism and the Origin of Enantioselectivity in Iron-Catalyzed Cross-Coupling Reactions2017
- Author(s)
  Sharma Akhilesh K.、Sameera W. M. C.、Jin Masayoshi、Adak Laksmikanta、Okuzono Chiemi、Iwamoto Takahiro、Kato Masako、Nakamura Masaharu、Morokuma Keiji
- Journal Title
  
  Journal of the American Chemical Society
  
  Volume: 139 Issue: 45 Pages: 16117-16125
- DOI
  10.1021/jacs.7b05917
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-17H06445
[Presentation] Radical binding and radical reactions on interstellar ices: a combined experimental and quantum chemical study Asia Pacific Conference of Theoretical and Computational Chemistry2023
- Author(s)
  W. M. C. Sameera, T. Nguyen, A. Ishibashi, B. Senevirathne, Y. Oba, H. Hidaka, N. Watanabe
- Organizer
  APATCC-10, Vietnam
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H05416
[Presentation] Radical processes on interstellar ices: a combined experimental and quantum chemical study2023
- Author(s)
  W. M. C. Sameera
- Organizer
  Symposium on Next Generation Astrochemistry
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H05416
[Presentation] OH radical on ice: photodesorption and reactivity from quantum chemical calculations2023
- Author(s)
  W. M. C. Sameera, A. Miyazaki, A. Ishibashi, H. Hidaka, Y. Nakai, N. Watanabe
- Organizer
  Symposium on Next Generation Astrochemistry
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H05416
[Presentation] Negative charge delivery in ice at 10 K: the role of surface OH radicals2022
- Author(s)
  Naoki Watanabe, Kensei Kitajima, W.M.C. Sameera, Masashi Tsuge, Hiroshi Hidaka, Yoichi Nakai
- Organizer
  The 22nd International Vacuum Congress
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22H00159
[Presentation] Quantum chemical modelling of the radical chemistry on ice surfaces2022
- Author(s)
  W. M. C. Sameera
- Organizer
  Sapporo-Colombo-Gothenburg Astrochemistry meeting 2022
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H05416
[Presentation] 低温アモルファス氷表面で生じる OH による CH3OH の水素原子引き抜き反応：反応分岐比の実験的決定2022
- Author(s)
  石橋篤季，日高宏，W. M. C. Sameera, 大場康弘，渡部直樹
- Organizer
  原子衝突学会第47回年会
- Data Source
  KAKENHI-PROJECT-22H00159
[Presentation] PyQM/MM for subtractive QM/MM calculations with the AMOEBA09 polarisable force field2022
- Author(s)
  P. V. G. M. Rathnayake, W. M. C. Sameera, N. Watanabe
- Organizer
  CECAM Virtual Winter School for Computational Chemistry
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H05416
[Presentation] Negative charge delivery in ice at 10 K: the role of surface OH radicals2022
- Author(s)
  Naoki Watanabe, Kensei Kitajima, Yoichi Nakai, Masashi Tsuge, Hiroshi Hidaka, W. M. C Sameera
- Organizer
  CHEMISTRY AND PHYSICS AT LOW TEMPERATURES　CPLT2022
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22H00159
[Presentation] Dinuclear Mo-Fe complexes for catalytic N2 reduction: A combined experimental and computational study2021
- Author(s)
  W. M. C. Sameera, Y. Ohki
- Organizer
  CECAM Virtual Winter School for Computational Chemistry
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06445
[Presentation] Detection of photodesorption OH radicals from H2O ice surface by visible light2021
- Author(s)
  A. Miyazaki, N. Watanabe, W. M. C. Sameera, Y. Nakai, M. Tsuge, T. Hama, H. Hidaka, A. Kouchi
- Organizer
  Workshop on Interstellar Matter 2021
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K03940
[Presentation] A new electrochemical property of ice: negative charge transport triggered by reactions of surface OH radicals with electrons2021
- Author(s)
  K. Kitajima, Y. Nakai, W. M. C. Sameera, M. Tsuge, A. Miyazaki, H. Hidaka, A. Kouchi, N. Watanabe
- Organizer
  Workshop on Interstellar Matter 2021
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H05416
[Presentation] Quantum chemical modelling of chemical reactions2021
- Author(s)
  W. M. C. Sameera
- Organizer
  The 10th annual science research sessions, The South Eastern University of Sri Lanka
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H05416
[Presentation] A new electrochemical property of ice: negative charge transport triggered by reactions of surface OH radicals with electrons2021
- Author(s)
  K. Kitajima, Y. Nakai, W. M. C. Sameera, M. Tsuge, A. Miyazaki, H. Hidaka, A. Kouchi, N. Watanabe
- Organizer
  Workshop on Interstellar Matter 2021
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K03940
[Presentation] Radical species on interstellar ices: a quantum chemical study2021
- Author(s)
  W. M. C. Sameera, A. Miyazaki, K. Kitajima, N. Watanabe
- Organizer
  The 15th annual meeting for Japan Society for Molecular Science 2021
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K03940
[Presentation] Quantum chemical determination of the complex organic molecules formation in the interstellar medium2021
- Author(s)
  W. M. C. Sameera
- Organizer
  Next Generation Astrochemistry Symposium
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K03940
[Presentation] Radical processes on interstellar ices: A combined experimental and quantum chemical study2021
- Author(s)
  W. M. C. Sameera, A. Miyazaki, K. Kitajima, N. Watanabe
- Organizer
  ACS Fall 2021 National Meeting in Atlanta
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K03940
[Presentation] Detection of photodesorption OH radicals from H2O ice surface by visible light2021
- Author(s)
  A. Miyazaki, N. Watanabe, W. M. C. Sameera, Y. Nakai, M. Tsuge, T. Hama, H. Hidaka, A. Kouchi
- Organizer
  Workshop on Interstellar Matter 2021
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H05416
[Presentation] Dinuclear Mo-Fe complexes for catalytic N2 reduction: Mechanistic insights from computational studies2021
- Author(s)
  W. M. C. Sameera, Y. Ohki
- Organizer
  Catalysis Science & Technology 10th Anniversary symposium 2021
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06445
[Presentation] PyQMMM for modelling chemical processes in the interstellar medium2021
- Author(s)
  P. V. G. M. Rathnayake, W. M. C. Sameera, N. Watanabe
- Organizer
  Workshop on Interstellar Matter 2021
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K03940
[Presentation] Quantum chemical modelling of chemical reactions2021
- Author(s)
  W. M. C. Sameera
- Organizer
  The 10th annual science research sessions, The South Eastern University of Sri Lanka
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K03940
[Presentation] Radical species on interstellar ices: a quantum chemical study2021
- Author(s)
  W. M. C. Sameera, A. Miyazaki, K. Kitajima, N. Watanabe
- Organizer
  The 15th annual meeting for Japan Society for Molecular Science 2021
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H05416
[Presentation] PyQMMM for modelling chemical processes in the interstellar medium2021
- Author(s)
  P. V. G. M. Rathnayake, W. M. C. Sameera, N. Watanabe
- Organizer
  Workshop on Interstellar Matter 2021
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H05416
[Presentation] PyQM/MM for subtractive QM/MM calculations with the AMOEBA09 polarisable force field2021
- Author(s)
  P. V. G. M. Rathnayake, W. M. C. Sameera, N. Watanabe
- Organizer
  CECAM Virtual Winter School for Computational Chemistry
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K03940
[Presentation] PyQM/MM for subtractive QM/MM calculations with the AMOEBA09 polarisable force field2021
- Author(s)
  P. V. G. M. Rathnayake, W. M. C. Sameera, N. Watanabe
- Organizer
  CECAM Virtual Winter School for Computational Chemistry.
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06445
[Presentation] Quantum chemical modelling of chemical reactions2021
- Author(s)
  W. M. C. Sameera
- Organizer
  The 10th annual science research sessions, The South Eastern University of Sri Lanka
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06445
[Presentation] Quantum chemical determination of the complex organic molecules formation in the interstellar medium2021
- Author(s)
  W. M. C. Sameera
- Organizer
  Next Generation Astrochemistry Symposium
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H05416
[Presentation] Radical species on interstellar ices: a quantum mechanics/molecular mechanics study2020
- Author(s)
  W. M. C. Sameera
- Organizer
  CICO-VICO Fall 2020 Workshop
- Invited
- Data Source
  KAKENHI-PLANNED-17H06445
[Presentation] On the mechanistic puzzles of homogeneous catalysis.2020
- Author(s)
  W. M. C. Sameera
- Organizer
  Institute for Materials Chemistry and Engineering, Kyushu University, Japan.
- Invited
- Data Source
  KAKENHI-PLANNED-17H06445
[Presentation] Advances and challenges in modelling reaction mechanisms2020
- Author(s)
  W. M. C. Sameera
- Organizer
  Department of Chemistry School of Life Sciences, University of Sussex, UK
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K03940
[Presentation] Radical species on interstellar ices: a quantum mechanics/molecular mechanics study2020
- Author(s)
  W. M. C. Sameera
- Organizer
  CICO-VICO Fall 2020 Workshop
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K03940
[Presentation] Advances and challenges in modelling reaction mechanisms2020
- Author(s)
  W. M. C. Sameera
- Organizer
  Department of Chemistry School of Life Sciences, University of Sussex, UK
- Invited
- Data Source
  KAKENHI-PLANNED-17H06445
[Presentation] On the reaction mechanisms: quantum mechanics/molecular mechanics (QM/MM) studies.2019
- Author(s)
  W. M. C. Sameera, N. Watanabe
- Organizer
  The 1st Symposium International on Hybrid Catalysis for Enabling Molecular Synthesis on Demand, Tokyo University, Japan.
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K03940
[Presentation] Combining modern force fields with ONIOM(QM:MM): the SICTWO interface.2019
- Author(s)
  W. M. C. Sameera, F. Maseras
- Organizer
  The Asia-Pacific Association of Theoretical and Computational Chemists
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06445
[Presentation] OH anions and OH radicals on amorphous ice: a combined experimental and quantum chemical study.2019
- Author(s)
  W. M. C. Sameera, N. Watanabe
- Organizer
  The 2nd ICReDD International Symposium, Hokkaido University, Japan.
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K03940
[Presentation] Combining modern force fields with ONIOM(QM:MM): the SICTWO interface.2019
- Author(s)
  W. M. C. Sameera.
- Organizer
  The Asia-Pacific Association of Theoretical and Computational Chemists (APATCC), Sydney, Australia.
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K03940
[Presentation] xploring mechanistic puzzles in Pd-catalyzed aziridine ring-opening reactions2019
- Author(s)
  W. M. C. Sameera
- Organizer
  The Asia-Pacific Association of Theoretical and Computational Chemists
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06445
[Presentation] n the reaction mechanisms: quantum mechanics/molecular mechanics (QM/MM) studies.2019
- Author(s)
  W. M. C. Sameera
- Organizer
  The 1st Symposium International on Hybrid Catalysis for Enabling Molecular Synthesis on Demand
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06445
[Presentation] OH radical on interstellar ices: a quantum chemical study.2019
- Author(s)
  W. M. C. Sameera, A. Miyazaki, N. Watanabe.
- Organizer
  IAU Symposium 350 Laboratory Astrophysics: from Observations to Interpretation. Jesus College, Cambridge, UK.
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K03940
[Presentation] A hybrid QM/MM approach to calculate binding energies of radical species on crystalline water ice.2018
- Author(s)
  W. M. C. Sameera
- Organizer
  255th ACS National Meeting
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06445
[Presentation] On the mechanism and selectivity of transition metal-catalyzed N-N and C-C bond formation reactions2017
- Author(s)
  W. M. C. Sameera
- Organizer
  8th Asia pacific conference in theoretical and computational chemistry (APCTCC8)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06445
[Presentation] Computational catalysis using quantum mechanics/molecular mechanics (QM/MM) and artificial forceinduced reaction (AFIR) methods2017
- Author(s)
  W. M. C. Sameera
- Organizer
  BIT's 8th Annual Global Congress of Catalysis 2017 (GCC-2017)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06445
[Presentation] On the selectivity of transition metal catalysis: DFT and MC-AFIR studies2017
- Author(s)
  W. M. C. Sameera
- Organizer
  International conference on theoretical and high performance computational chemistry 2017
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06445

1. Hatanaka Miho (80616011)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
2. 諸熊奎治 (40111083)

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
3. 渡部直樹 (50271531)

# of Collaborated Projects: 1 results

# of Collaborated Products: 3 results
4. 柘植雅士 (60454211)

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
5. 加藤昌子

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
6. 大場康弘

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
7. 大木靖弘

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

SAMEERA W.M.C Ｓａｍｅｅｒａ Ｗ．Ｍ．Ｃ．

Sameera W.M.C. Sameera W.M.C.

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ラジカルの拡散が活性化させる星間塵表面での分子進化：複雑有機分子生成の鍵

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Quantum Chemical Determination of the Complex Organic Molecules Formation in the Interstellar MediumPrincipal Investigator

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Multiscale modeling of radical diffusion and radical reactions on interstellar icesPrincipal Investigator

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Elucidation of mechanism and etraction of key for hybrid catalytic systems based on the automated reaction path search method

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[Book] Automated Mechanism Discovery, Comprehensive Computational Chemistry2022

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[Book] Transition Metal Catalyzed Cross-coupling and Nitrogen Reduction Reactions: Lessons from Computational Studies2022

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[Book] Elsevier Publishing2022

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[Book] Transition Metal Catalyzed Cross-coupling and Nitrogen Reduction Reactions: Lessons from Computational Studies2022

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[Book] "Predicting reaction pathways from reactants", Applied Theoretical Chemistry2018

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[Journal Article] A systematic mechanistic survey on the reactions between OH radical and CH3OH on ice2023

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[Journal Article] Surface Reaction of Methyl Mercaptan (CH<sub>3</sub>SH) with Hydrogen Atoms on Amorphous Solid Water2023

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[Journal Article] Modelling the radical chemistry on ice surfaces: an integrated quantum chemical and experimental approach2022

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[Journal Article] Palladium‐Catalyzed Regioselective and Stereospecific Ring‐Opening Suzuki‐Miyaura Arylative Cross‐Coupling of 2‐Arylazetidines with Arylboronic Acids2021

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[Journal Article] Delivery of electrons by proton-hole transfer in ice at 10 K: Role of surface OH radicals2021

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[Journal Article] Successive H-atom Addition to Solid OCS on Compact Amorphous Solid Water2021

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SAMEERA W.M.C ＳａｍｅｅｒａＷ．Ｍ．Ｃ．