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Shuqiang Niu

georgetown university

H指数:23

被引数:2,491

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How Geometric Constraints Control the Hydride Position and Activity in [NiFe]-Hydrogenases and Their Biomimetic Complexes

几何约束如何调控[NiFe]-氢化酶及其仿生配合物中氢化物的位置和活性

INORGANIC CHEMISTRY

IF4.7

2025-05-090

OA

Effects of strontium and cobalt codoped nanotube implants on osseointegration in osteoporotic rats

MATERIALS TODAY COMMUNICATIONS

IF4.5

2022-12-015

PRE

Role of aromatic amino acids in amyloid self-assembly

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

IF8.5

2020-08-0154

OAAI

Photoinduced Terminal Hydride of [FeFe]-Hydrogenase Biomimetic Complexes

INORGANIC CHEMISTRY

IF4.7

2019-09-306

PREAI

Reduction potential calculations of the Fe-S clusters in Thermus thermophilus respiratory complex I

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2019-01-294

PREAI

Unexpected Importance of Aromatic-Aliphatic and Aliphatic Side Chain-Backbone Interactions in the Stability of Amyloids

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2017-07-2412

OAAI

Assessment of Quantum Mechanical Methods for Copper and Iron Complexes by Photoelectron Spectroscopy

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2014-02-0320

OAAI

Calculating standard reduction potentials of [4Fe4S] proteins

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2012-11-0121

OA

The large quadrupole of water molecules

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2011-04-0160

OAAI

Optimization of Spin-Unrestricted Density Functional Theory for Redox Properties of Rubredoxin Redox Site Analogues

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2009-04-2317

OAAI

Insight into Environmental Effects on Bonding and Redox Properties of [4Fe-4S] Clusters in Proteins

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2009-04-0237

OAAI

Electronic structure and intrinsic redox properties of [2Fe-2S]+ clusters with tri- and tetracoordinate iron sites

INORGANIC CHEMISTRY

IF4.7

2005-02-0515

PREAI

Direct measurement of the hydrogen-bonding effect on the intrinsic redox potentials of [4Fe-4S] cubane complexes

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2004-11-0648

PREAI

Probing the intrinsic electronic structure of the cubane [4Fe-4S] cluster: Nature's favorite cluster for electron transfer and storage

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2003-10-2871

PREAI

On the electronic structures of gaseous transition metal halide complexes, FeX4- and MX3- (M=Mn, Fe, Co, Ni, X=Cl, Br), using photoelectron spectroscopy and density functional calculations

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2003-10-2249

PREAI

Alternating DNA and π-conjugated sequences.: Thermophilic foldable polymers

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2003-04-09170

PREAI

Modeling the active sites in metalloenzymes 5. The heterolytic bond cleavage of H2 in the [NiFe] hydrogenase of Desulfovibrio gigas by a nucleophilic addition mechanism

INORGANIC CHEMISTRY

IF4.7

2001-10-1754

PREAI

On the behavior of α,β-unsaturated thioaldehydes and thioketones in the Diels-Alder reaction

JOURNAL OF ORGANIC CHEMISTRY

IF3.6

2000-08-3135

PREAI

Theoretical characterization, of the reaction intermediates in a model of the nickel-iron hydrogenase of Desulfovibrio gigas

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

1999-04-08187

PREAI

Theoretical studies of inorganic and-organometallic reaction mechanisms. 15. Catalytic alkane dehydrogenation by iridium(III) complexes

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

1999-04-0780

PREAI