Djamaladdin G. Musaev

发表

Electronic reorganization: Origin of sigma trans promotion effect

Dmitry V. Khoroshun, Djamaladdin G. Musaev, Keiji Morokuma, 2007, J. Comput. Chem..

A DFT study of the mechanism of Ni superoxide dismutase (NiSOD): Role of the active site cysteine‐6 residue in the oxidative half‐reaction

Rajeev Prabhakar, Djamaladdin G. Musaev, Keiji Morokuma, 2006, J. Comput. Chem..

A bulk adjusted linear combination of atomic orbitals (BA‐LCAO) approach for nanoparticles

Tianquan Lian, Djamaladdin G. Musaev, Alexey L. Kaledin, 2018, J. Comput. Chem..

A comparative study of various computational approaches in calculating the structure of pyridoxal 5′‐phosphate (PLP)‐dependent β‐lyase protein. The importance of protein environment

Rajeev Prabhakar, Djamaladdin G. Musaev, Keiji Morokuma, 2005, J. Comput. Chem..

Model studies of the structures, reacitivities, and reaction mechanisms of metalloenzymes

Thom Vreven, Dmitry V. Khoroshun, Djamaladdin G. Musaev, 2001, IBM J. Res. Dev..

Computational studies of reaction mechanisms of methane monooxygenase and ribonucleotide reductase

Djamaladdin G. Musaev, Keiji Morokuma, Harold Basch, 2002, J. Comput. Chem..

Electron Transfer Dynamics in Semiconductor–Chromophore–Polyoxometalate Catalyst Photoanodes

Tianquan Lian, Djamaladdin G. Musaev, John Fielden, 2013 .

Quantum Chemical Prediction of Pathways and Rate Constants for Reactions of CO and CO2 with Vacancy Defects on Graphite (0001) Surfaces

Stephan Irle, Djamaladdin G. Musaev, Ming-Chang Lin, 2009 .

Theoretical Studies on the Mechanism of the Methane → Methanol Conversion Reaction Catalyzed by Methane Monooxygenase (MMO): The O-Side vs N-Side Mechanisms

Djamaladdin G. Musaev, Keiji Morokuma, Harold Basch, 2001 .

Protein effects on the O2 binding to the active site of the methane monooxygenase: ONIOM studies

Marcin Hoffmann, Djamaladdin G. Musaev, Keiji Morokuma, 2004 .

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.

Tianquan Lian, Djamaladdin G. Musaev, Kenneth I. Hardcastle, 2010, Chemical communications.

Four-Coordinate Molybdenum Chalcogenide Complexes Relevant to Nitrous Oxide N−N Bond Cleavage by Three-Coordinate Molybdenum(III): Synthesis, Characterization, Reactivity, and Thermochemistry

Christopher C. Cummins, Djamaladdin G. Musaev, Keiji Morokuma, 1998 .

N2 CLEAVAGE BY THREE-COORDINATE GROUP 6 COMPLEXES. W(III) COMPLEXES WOULD BE BETTER THAN MO(III) COMPLEXES

Djamaladdin G. Musaev, Keiji Morokuma, Mats Svensson, 1995 .

Analytical Second Derivatives for Effective Core Potential. Application to Transition Structures of Cp2Ru2(μ-H)4 and to the Mechanism of Reaction Cu + CH2N2

Djamaladdin G. Musaev, Keiji Morokuma, Qiang Cui, 1996 .

Real size of ligands, reactants and catalysts: Studies of structure, reactivity and selectivity by ONIOM and other hybrid computational approaches ☆

Djamaladdin G. Musaev, Keiji Morokuma, Valentine P. Ananikov, 2010 .

Mechanism of the methane → methanol conversion reaction catalyzed by methane monooxygenase: A density functional study

Djamaladdin G. Musaev, Keiji Morokuma, Harold Basch, 1999 .