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Djamaladdin Musaev

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Chongchao Zhao; Alexey L Kaledin; Choon Sung Kambara; Tianquan Lian; Djamaladdin G Musaev; Ye Yang; Craig L Hill
Synthesis, structures, and photochemistry of tricarbonyl metal polyoxoanion complexes, [X2W20O70{M(CO)3}2]12– (X = Sb, Bi and M = Re, Mn).
Hongjin Lv; Djamaladdin G Musaev; Jie Song; James W Vickers; Chongchao Zhao; Guibo Zhu; Yurii Geletii; Tianquan Lian; Zhen Luo; Craig L Hill
Polyoxometalate water oxidation catalysts and the production of green fuel.
Guibo Zhu; Yurii Geletii; Elliot N Glass; Hongjin Lv; Djamaladdin G Musaev; Jie Song; James W Vickers; Chongchao Zhao; Craig L Hill
A nickel containing polyoxometalate water oxidation catalyst.

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2013: Chongchao Zhao; Alexey L Kaledin; Choon Sung Kambara; Tianquan Lian; Djamaladdin G Musaev; Ye Yang; Craig L Hill
Synthesis, structures, and photochemistry of tricarbonyl metal polyoxoanion complexes, [X2W20O70{M(CO)3}2]12– (X = Sb, Bi and M = Re, Mn).
Inorganic chemistry 2013;52(2):671-8.
2012: Hongjin Lv; Djamaladdin G Musaev; Jie Song; James W Vickers; Chongchao Zhao; Guibo Zhu; Yurii Geletii; Tianquan Lian; Zhen Luo; Craig L Hill
Polyoxometalate water oxidation catalysts and the production of green fuel.
Chemical Society reviews 2012;41(22):7572-89.
2012: Guibo Zhu; Yurii Geletii; Elliot N Glass; Hongjin Lv; Djamaladdin G Musaev; Jie Song; James W Vickers; Chongchao Zhao; Craig L Hill
A nickel containing polyoxometalate water oxidation catalyst.
Dalton transactions (Cambridge, England : 2003) 2012;41(42):13043-9.
2012: Zhanjie Li; Djamaladdin G Musaev; Jochen Autschbach; Vyacheslav Boyarskikh; Jørn H Hansen; Huw M L Davies
Scope and mechanistic analysis of the enantioselective synthesis of allenes by rhodium-catalyzed tandem ylide formation/[2,3]-sigmatropic rearrangement between donor/acceptor carbenoids and propargylic alcohols.
Journal of the American Chemical Society 2012;134(37):15497-504.
2012: Guibo Zhu; Yurii Geletii; Djamaladdin G Musaev; Jie Song; Chongchao Zhao; Craig L Hill
A dodecanuclear Zn cluster sandwiched by polyoxometalate ligands.
Dalton transactions (Cambridge, England : 2003) 2012;41(33):9908-13.
2012: Travis M Anderson; Rui Cao; Martin L Kirk; Thomas F Koetzle; Keiji Morokuma; Djamaladdin G Musaev; Wade A Neiwert; Paula M B Piccoli; Arthur J Schultz; Craig L Hill
Retraction.
Science (New York, N.Y.) 2012;337(6092):290.
2012: Kevin P O'Halloran; Paula M B Piccoli; Arthur J Schultz; Benjamin Stein; Shaoxiong Wu; Chongchao Zhao; Travis M Anderson; Nicole S Ando; Elena Bobyr; Rui Cao; Ezra C Depperman; Xikui Fang; Yurii Geletii; Kenneth I Hardcastle; Britt Hedman; Keith O Hodgson; Martin L Kirk; Sushilla Z Knottenbelt; Thomas F Koetzle; Paul Kögerler; Keiji Morokuma; Djamaladdin G Musaev; Wade A Neiwert; Craig L Hill
Revisiting the polyoxometalate-based late-transition-metal-oxo complexes: the "oxo wall" stands.
Inorganic chemistry 2012;51(13):7025-31.
2012: Valentine P Ananikov; Irina P Beletskaya; Victor N Khrustalev; Keiji Morokuma; Nikolay V Orlov; Sergey S Zalesskiy; Djamaladdin G Musaev
Catalytic adaptive recognition of thiol (SH) and selenol (SeH) groups toward synthesis of functionalized vinyl monomers.
Journal of the American Chemical Society 2012;134(15):6637-49.
2012: Guibo Zhu; Yurii Geletii; Kenneth I Hardcastle; Paul Kögerler; Sheri Lense; Djamaladdin G Musaev; Helmut Schilder; Jie Song; Chongchao Zhao; Craig L Hill
Water oxidation catalyzed by a new tetracobalt-substituted polyoxometalate complex: [{Co4(μ-OH)(H2O)3}(Si2W19O70)]11-.
Dalton transactions (Cambridge, England : 2003) 2012;41(7):2084-90.
2012: Djamaladdin G Musaev; Bing-Feng Shi; Alexey L Kaledin; Jin-Quan Yu
Key mechanistic features of enantioselective C-H bond activation reactions catalyzed by [(chiral mono-N-protected amino acid)-Pd(II)] complexes.
Journal of the American Chemical Society 2012;134(3):1690-8.
2011: Changming Qin; Vyacheslav Boyarskikh; Jørn H Hansen; Kenneth I Hardcastle; Djamaladdin G Musaev; Huw M L Davies
D2-symmetric dirhodium catalyst derived from a 1,2,2-triarylcyclopropanecarboxylate ligand: design, synthesis and application.
Journal of the American Chemical Society 2011;133(47):19198-204.
2011: Mark Edwin Harvey; Djamaladdin G Musaev; Justin Du Bois
A diruthenium catalyst for selective, intramolecular allylic C-H amination: reaction development and mechanistic insight gained through experiment and theory.
Journal of the American Chemical Society 2011;133(43):17207-16.
2011: Wenchao Zhang; Yanhui Tang; Ming Lei; Keiji Morokuma; Djamaladdin G Musaev
Ditantalum dinitrogen complex: reaction of H2 molecule with "end-on-bridged" [Ta(IV)]2(μ-η(1):η(1)-N2) and Bis(μ-nitrido) [Ta(V)]2(μ-N)2 complexes.
Inorganic chemistry 2011;50(19):9481-90.
2011: Zhuangqun Huang; Zhen Luo; Yurii Geletii; James W Vickers; Qiushi Yin; David Wu; Yu Hou; Yong Ding; Jie Song; Djamaladdin G Musaev; Craig L Hill; Tianquan Lian
Efficient light-driven carbon-free cobalt-based molecular catalyst for water oxidation.
Journal of the American Chemical Society 2011;133(7):2068-71.
2010: Aleksey E Kuznetsov; Yurii Geletii; Craig L Hill; Djamaladdin G Musaev
Insights into the mechanism of O₂ formation and release from the Mn₄O₄L₆ "cubane" cluster.
The journal of physical chemistry. A 2010;114(43):11417-24.
2010: Alexey L Kaledin; Zhuangqun Huang; Qiushi Yin; Emma L Dunphy; Edwin C Constable; Catherine E Housecroft; Yurii Geletii; Tianquan Lian; Craig L Hill; Djamaladdin G Musaev
Insights into photoinduced electron transfer between [Ru(mptpy)2]4+ (mptpy = 4'(4-methylpyridinio)-2,2':6',2''-terpyridine) and [S2O8]2-: computational and experimental studies.
The journal of physical chemistry. A 2010;114(21):6284-97.
2010: Claire Besson; Zhuangqun Huang; Yurii Geletii; Sheri Lense; Kenneth I Hardcastle; Djamaladdin G Musaev; Tianquan Lian; Anna Proust; Craig L Hill
Cs(9)[(gamma-PW(10)O(36))(2)Ru(4)O(5)(OH)(H(2)O)(4)], a new all-inorganic, soluble catalyst for the efficient visible-light-driven oxidation of water.
Chemical communications (Cambridge, England) 2010;46(16):2784-6.
2010: Qiushi Yin; Jeffrey Miles Tan; Claire Besson; Yurii Geletii; Djamaladdin G Musaev; Aleksey E Kuznetsov; Zhen Luo; Kenneth I Hardcastle; Craig L Hill
A fast soluble carbon-free molecular water oxidation catalyst based on abundant metals.
Science (New York, N.Y.) 2010;328(5976):342-5.
2010: Aleksey E Kuznetsov; Djamaladdin G Musaev
Does the MgO(100)-support facilitate the reaction of nitrogen and hydrogen molecules catalyzed by Zr2Pd2 clusters? A computational study.
Inorganic chemistry 2010;49(5):2557-67.
2010: Krishna K Pandey; James P Snyder; Dennis C Liotta; Djamaladdin G Musaev
Computational studies of transition metal selectivity of octapeptide repeat region of prion protein (PrP).
The journal of physical chemistry. B 2010;114(2):1127-35.
2010: David Quiñonero; Alexey L Kaledin; Aleksey E Kuznetsov; Yurii Geletii; Claire Besson; Craig L Hill; Djamaladdin G Musaev
Computational studies of the geometry and electronic structure of an all-inorganic and homogeneous tetra-Ru-polyoxotungstate catalyst for water oxidation and its four subsequent one-electron oxidized forms.
The journal of physical chemistry. A 2010;114(1):535-42.
2010: Alexey L Kaledin; Zhuangqun Huang; Yurii Geletii; Tianquan Lian; Craig L Hill; Djamaladdin G Musaev
Insights into photoinduced electron transfer between [Ru(bpy)(3)](2+) and [S(2)O(8)](2-) in water: computational and experimental studies.
The journal of physical chemistry. A 2010;114(1):73-80.
2009: Yurii Geletii; Claire Besson; Yu Hou; Qiushi Yin; Djamaladdin G Musaev; David Quiñonero; Rui Cao; Kenneth I Hardcastle; Anna Proust; Paul Kögerler; Craig L Hill
Structural, physicochemical, and reactivity properties of an all-inorganic, highly active tetraruthenium homogeneous catalyst for water oxidation.
Journal of the American Chemical Society 2009;131(47):17360-70.
2009: Claire Besson; Djamaladdin G Musaev; Vanina Lahootun; Rui Cao; Lise-Marie Chamoreau; Richard Villanneau; Françoise Villain; René Thouvenot; Yurii Geletii; Craig L Hill; Anna Proust
Vicinal dinitridoruthenium-substituted polyoxometalates gamma-[XW10O38{RuN}2]6- (X = Si or Ge).
Chemistry (Weinheim an der Bergstrasse, Germany) 2009;15(39):10233-43.
2009: Yurii Geletii; Zhuangqun Huang; Yu Hou; Djamaladdin G Musaev; Tianquan Lian; Craig L Hill
Homogeneous light-driven water oxidation catalyzed by a tetraruthenium complex with all inorganic ligands.
Journal of the American Chemical Society 2009;131(22):7522-3.
2009: Aleksey E Kuznetsov; Yurii Geletii; Craig L Hill; Keiji Morokuma; Djamaladdin G Musaev
Dioxygen and water activation processes on multi-Ru-substituted polyoxometalates: comparison with the "blue-dimer" water oxidation catalyst.
Journal of the American Chemical Society 2009;131(19):6844-54.
2009: Aleksey E Kuznetsov; Yurii Geletii; Craig L Hill; Keiji Morokuma; Djamaladdin G Musaev
Mechanism of the divanadium-substituted polyoxotungstate [gamma-1,2-H2SiV2W10O40]4- catalyzed olefin epoxidation by H2O2: a computational study.
Inorganic chemistry 2009;48(5):1871-8.
2008: Hsin-Tsung Chen; Jee-Gong Chang; Djamaladdin G Musaev; M C Lin
Computational study on kinetics and mechanisms of unimolecular decomposition of succinic acid and its anhydride.
The journal of physical chemistry. A 2008;112(29):6621-9.
2008: Jerzy Moc; Djamaladdin G Musaev; Keiji Morokuma
Zeolite-supported palladium tetramer and its reactivity toward H2 molecules: computational studies.
The journal of physical chemistry. A 2008;112(26):5973-83.
2008: Yurii Geletii; Bogdan Botar; Paul Kögerler; Daniel A Hillesheim; Djamaladdin G Musaev; Craig L Hill
An all-inorganic, stable, and highly active tetraruthenium homogeneous catalyst for water oxidation.
Angewandte Chemie (International ed. in English) 2008;47(21):3896-9.
2007: Rui Cao; Travis M Anderson; Paula M B Piccoli; Arthur J Schultz; Thomas F Koetzle; Yurii Geletii; Elena Slonkina; Britt Hedman; Keith O Hodgson; Kenneth I Hardcastle; Xikui Fang; Martin L Kirk; Sushilla Z Knottenbelt; Paul Kögerler; Djamaladdin G Musaev; Keiji Morokuma; Masashi Takahashi; Craig L Hill
Terminal gold-oxo complexes.
Journal of the American Chemical Society 2007;129(36):11118-33.
2007: Djamaladdin G Musaev; Stephan Irle; Ming Chang Lin
The mechanisms of the reactions of W and W+ with COx (x=1, 2): a computational study.
The journal of physical chemistry. A 2007;111(29):6665-73.
2007: Djamaladdin G Musaev; Petia Bobadova-Parvanova; Keiji Morokuma
Why [(eta5-C5Me(n)H5-n)2Ti]2(micro2,eta2,eta2-N2) can not add a H2 molecule to the side-on-coordinated N2 while its Zr and Hf analogues can? insights from computational studies.
Inorganic chemistry 2007;46(7):2709-15.
2007: Hsin-Tsung Chen; Djamaladdin G Musaev; Stephan Irle; Ming Chang Lin
Mechanisms of the reactions of W and W+ with NOx (x=1, 2): a computational study.
The journal of physical chemistry. A 2007;111(5):982-91.
2007: Dmitry V Khoroshun; Djamaladdin G Musaev; Keiji Morokuma
Electronic reorganization: origin of sigma trans promotion effect.
Journal of computational chemistry 2007;28(1):423-41.
2007: Lei Shi; Dan Lundberg; Djamaladdin G Musaev; Fredric M Menger
[12]Annulene gemini surfactants: structure and self-assembly.
Angewandte Chemie (International ed. in English) 2007;46(31):5889-91.
2006: S C Xu; Stephan Irle; Djamaladdin G Musaev; MC Lin
Quantum chemical prediction of reaction pathways and rate constants for dissociative adsorption of CO(x) and NO(x) on the graphite (0001) surface.
The journal of physical chemistry. B 2006;110(42):21135-44.
2006: Petia Bobadova-Parvanova; Qingfang Wang; David Quinonero-Santiago; Keiji Morokuma; Djamaladdin G Musaev
Does dinitrogen hydrogenation follow different mechanisms for [(eta5-C5Me4H)2Zr]2(mu2,eta2,eta2-N2) and {[PhP(CH2SiMe2NSiMe2CH2)PPh]Zr}2(mu2,eta2,eta2-N2) complexes? A computational study.
Journal of the American Chemical Society 2006;128(35):11391-403.
2006: Rajeev Prabhakar; Keiji Morokuma; Djamaladdin G Musaev
A DFT study of the mechanism of Ni superoxide dismutase (NiSOD): role of the active site cysteine-6 residue in the oxidative half-reaction.
Journal of computational chemistry 2006;27(12):1438-45.
2006: Bogdan Botar; Yurii Geletii; Paul Kögerler; Djamaladdin G Musaev; Keiji Morokuma; Ira A Weinstock; Craig L Hill
The true nature of the Di-iron(III) gamma-Keggin structure in water: catalytic aerobic oxidation and chemistry of an unsymmetrical trimer.
Journal of the American Chemical Society 2006;128(34):11268-77.
2006: Rajeev Prabhakar; Thom Vreven; Michael J Frisch; Keiji Morokuma; Djamaladdin G Musaev
Is the protein surrounding the active site critical for hydrogen peroxide reduction by selenoprotein glutathione peroxidase? An ONIOM study.
The journal of physical chemistry. B 2006;110(27):13608-13.
2006: Rajeev Prabhakar; Keiji Morokuma; Craig L Hill; Djamaladdin G Musaev
Insights into the mechanism of selective olefin epoxidation catalyzed by [gamma-(SiO4)W10O32H4]4-. A computational study.
Inorganic chemistry 2006;45(14):5703-9.
2006: Taraneh Nowroozi-Isfahani; Djamaladdin G Musaev; Keiji Morokuma; Edward Rosenberg
Computational studies of nucleophilic attack and protonation of electron-deficient benzoheterocycle triosmium clusters.
Inorganic chemistry 2006;45(13):4963-73.
2006: Rajeev Prabhakar; Keiji Morokuma; Djamaladdin G Musaev
Peroxynitrite reductase activity of selenoprotein glutathione peroxidase: a computational study.
Biochemistry 2006;45(22):6967-77.
2006: Djamaladdin G Musaev; Shucheng Xu; Stephan Irle; Ming Chang Lin
Mechanisms of the reactions of W AND W+ with H2O: computational studies.
The journal of physical chemistry. A 2006;110(13):4495-501.
2006: Yan Wang; Guishan Zheng; Keiji Morokuma; Yurii Geletii; Craig L Hill; Djamaladdin G Musaev
Density functional study of the roles of chemical composition of di-transition-metal-substituted gamma-Keggin polyoxometalate anions.
The journal of physical chemistry. B 2006;110(11):5230-7.
2006: Renata A Kwiecien; Ilja V Khavrutskii; Djamaladdin G Musaev; Keiji Morokuma; Ruma Banerjee; Piotr Paneth
Computational insights into the mechanism of radical generation in B12-dependent methylmalonyl-CoA mutase.
Journal of the American Chemical Society 2006;128(4):1287-92.
2006: David Quiñonero; Yan Wang; Keiji Morokuma; Lyuba A Khavrutskii; Bogdan Botar; Yurii Geletii; Craig L Hill; Djamaladdin G Musaev
The role of the central atom in structure and reactivity of polyoxometalates with adjacent d-electron metal sites. computational and experimental studies of gamma-[(Xn+O4)RuIII2(OH)2(MFM)10O32](8-n)-) for MFM = Mo and W, and X = AlIII, SiIV, PV, and SVI.
The journal of physical chemistry. B 2006;110(1):170-3.
2005: Petia Bobadova-Parvanova; Qinfang Wang; Keiji Morokuma; Djamaladdin G Musaev
How many methyl groups in [{(eta5-C5Me(n)H5-n)2Zr}(2)(mu2,eta2,eta2-N2)] are needed for dinitrogen hydrogenation? A theoretical study.
Angewandte Chemie (International ed. in English) 2005;44(43):7101-3.
2005: Shucheng Xu; Stephan Irle; Djamaladdin G Musaev; Ming Chang Lin
Water clusters on graphite: methodology for quantum chemical a priori prediction of reaction rate constants.
The journal of physical chemistry. A 2005;109(42):9563-72.
2005: Rajeev Prabhakar; Thom Vreven; Keiji Morokuma; Djamaladdin G Musaev
Elucidation of the mechanism of selenoprotein glutathione peroxidase (GPx)-catalyzed hydrogen peroxide reduction by two glutathione molecules: a density functional study.
Biochemistry 2005;44(35):11864-71.
2005: Travis M Anderson; Rui Cao; Elena Slonkina; Britt Hedman; Keith O Hodgson; Kenneth I Hardcastle; Wade A Neiwert; Shaoxiong Wu; Martin L Kirk; Sushilla Z Knottenbelt; Ezra C Depperman; Bineta Keita; Louis Nadjo; Djamaladdin G Musaev; Keiji Morokuma; Craig L Hill
A palladium-oxo complex. Stabilization of this proposed catalytic intermediate by an encapsulating polytungstate ligand.
Journal of the American Chemical Society 2005;127(34):11948-9.
2005: Bogdan Botar; Yurii Geletii; Paul Kögerler; Djamaladdin G Musaev; Keiji Morokuma; Ira A Weinstock; Craig L Hill
Asymmetric terminal ligation on substituted sites in a disorder-free Keggin anion, [beta-SiFe2W10O36(OH)2(H2O)Cl]5-.
Dalton transactions (Cambridge, England : 2003) 2005;(11):2017-21.
2005: David Quiñonero; Keiji Morokuma; Djamaladdin G Musaev; Rubén Mas-Ballesté; Lawrence Que
Metal-peroxo versus metal-oxo oxidants in non-heme iron-catalyzed olefin oxidations: computational and experimental studies on the effect of water.
Journal of the American Chemical Society 2005;127(18):6548-9.
2005: Rajeev Prabhakar; Keiji Morokuma; Djamaladdin G Musaev
A comparative study of various computational approaches in calculating the structure of pyridoxal 5'-phosphate (PLP)-dependent beta-lyase protein. The importance of protein environment.
Journal of computational chemistry 2005;26(5):443-6.
2005: Ilja V Khavrutskii; Djamaladdin G Musaev; Keiji Morokuma
Cooperative pull and push effects on the O-O bond cleavage in acylperoxo complexes of [(Salen)MnIIIL]: ensuring formation of manganese(V) oxo species.
Inorganic chemistry 2005;44(2):306-15.
2004: Travis M Anderson; Wade A Neiwert; Martin L Kirk; Paula M B Piccoli; Arthur J Schultz; Thomas F Koetzle; Djamaladdin G Musaev; Keiji Morokuma; Rui Cao; Craig L Hill
A late-transition metal oxo complex: K7Na9[O=PtIV(H2O)L2], L = [PW9O34]9-.
Science (New York, N.Y.) 2004;306(5704):2074-7.
2004: Djamaladdin G Musaev; Keiji Morokuma; Yurii Geletii; Craig L Hill
Computational modeling of di-transition-metal-substituted gamma-keggin polyoxometalate anions. Structural refinement of the protonated divacant lacunary silicodecatungstate.
Inorganic chemistry 2004;43(24):7702-8.
2004: Ilja V Khavrutskii; Djamaladdin G Musaev; Keiji Morokuma
Epoxidation of unfunctionalized olefins by Mn(salen) catalyst using organic peracids as oxygen source: a theoretical study.
Proceedings of the National Academy of Sciences of the United States of America 2004;101(16):5743-8.
2003: David Quiñonero; Djamaladdin G Musaev; Keiji Morokuma
Theoretical studies of the complex [(BPMEN)Fe(II)(NCCH3)2](2+), precursor of non-heme iron catalysts for olefin epoxidation and cis-dihydroxylation.
Inorganic chemistry 2003;42(25):8449-55.
2003: Ilja V Khavrutskii; Djamaladdin G Musaev; Keiji Morokuma
Insights into the structure and reactivity of acylperoxo complexes in the Kochi-Jacobsen-Katsuki catalytic system. A density functional study.
Journal of the American Chemical Society 2003;125(45):13879-89.
2003: Fredric M Menger; Ashley L Galloway; Djamaladdin G Musaev
Relationship between rate and distance.
Chemical communications (Cambridge, England) 2003;(18):2370-1.
2003: Dmitry V Khoroshun; Akiko Inagaki; Hiroharu Suzuki; Sergei F Vyboishchikov; Djamaladdin G Musaev; Keiji Morokuma
Versatile and cooperative reactivity of a triruthenium polyhydride cluster. A computational study.
Journal of the American Chemical Society 2003;125(33):9910-1.
2003: Sonia Ilieva; Boris Galabov; Djamaladdin G Musaev; Keiji Morokuma
Computational study of the aminolysis of 2-benzoxazolinone.
The Journal of organic chemistry 2003;68(9):3406-12.
2003: Ilja V Khavrutskii; Djamaladdin G Musaev; Keiji Morokuma
Structure, stability, and electronic and NMR properties of various oxo- and nitrido-derivatives of [L(Salen)Mn(III)]+, where L = none and imidazole. A density functional study.
Inorganic chemistry 2003;42(8):2606-21.
2003: Djamaladdin G Musaev; Yurii Geletii; Craig L Hill; Kimihiko Hirao
Can the ebselen derivatives catalyze the isomerization of peroxynitrite to nitrate?
Journal of the American Chemical Society 2003;125(13):3877-88.
2003: Sonia Ilieva; Boris Galabov; Djamaladdin G Musaev; Keiji Morokuma; Henry F Schaefer
Computational study of the aminolysis of esters. The reaction of methylformate with ammonia.
The Journal of organic chemistry 2003;68(4):1496-502.
2003: Dmitry V Khoroshun; Kurt Warncke; Shyue-Chu Ke; Djamaladdin G Musaev; Keiji Morokuma
Internal degrees of freedom, structural motifs, and conformational energetics of the 5'-deoxyadenosyl radical: implications for function in adenosylcobalamin-dependent enzymes. A computational study.
Journal of the American Chemical Society 2003;125(2):570-9.
2002: Yinghong Sheng; Djamaladdin G Musaev; K Subba Reddy; Frank E McDonald; Keiji Morokuma
Computational studies of tungsten-catalyzed endo-selective cycloisomerization of 4-pentyn-1-ol.
Journal of the American Chemical Society 2002;124(15):4149-57.
2002: Djamaladdin G Musaev; Harold Basch; Keiji Morokuma
Theoretical study of the mechanism of alkane hydroxylation and ethylene epoxidation reactions catalyzed by diiron bis-oxo complexes. The effect of substrate molecules.
Journal of the American Chemical Society 2002;124(15):4135-48.
2002: Valentine P Ananikov; Djamaladdin G Musaev; Keiji Morokuma
Vinyl-vinyl coupling on late transition metals through C-C reductive elimination mechanism. A computational study.
Journal of the American Chemical Society 2002;124(11):2839-52.
2002: Maricel Torrent; Thom Vreven; Djamaladdin G Musaev; Keiji Morokuma; Odön Farkas; H Bernhard Schlegel
Effects of the protein environment on the structure and energetics of active sites of metalloenzymes. ONIOM study of methane monooxygenase and ribonucleotide reductase.
Journal of the American Chemical Society 2002;124(2):192-3.
2002: Maricel Torrent; Djamaladdin G Musaev; Harold Basch; Keiji Morokuma
Computational studies of reaction mechanisms of methane monooxygenase and ribonucleotide reductase.
Journal of computational chemistry 2002;23(1):59-76.
2001: R K Szilagyi; Djamaladdin G Musaev; Keiji Morokuma
Theoretical studies of biological nitrogen fixation. I. Density functional modeling of the Mo-site of the FeMo-cofactor.
Inorganic chemistry 2001;40(4):766-75.