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The top documents of minh-tho

Rockstar
Rockstar
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The Boron conundrum: the case of cationic clusters B n + with n = 2–20
The Boron conundrum: the case of cationic clusters B n + with n = 2–20
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Boron-Boron Multiple Bond in [B(NHC)] 2 : Towards Stable and Aromatic [B(NHC)] n Rings
Boron-Boron Multiple Bond in [B(NHC)] 2 : Towards Stable and Aromatic [B(NHC)] n Rings
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Regiochemistry of 1,3-dipolar cycloadditions between azides and substituted ethylenes: a theoretical study
Regiochemistry of 1,3-dipolar cycloadditions between azides and substituted ethylenes: a theoretical study
212 views
Density Functional Approach to Regiochemistry, Activation Energy, and Hardness Profile in 1,3-Dipolar Cycloadditions
Density Functional Approach to Regiochemistry, Activation Energy, and Hardness Profile in 1,3-Dipolar Cycloadditions
212 views
Interactions of carbon dioxide with model organic molecules: A comparative theoretical study
Interactions of carbon dioxide with model organic molecules: A comparative theoretical study
215 views
A Unified Perspective on the Hydrogen Atom Transfer and Proton-Coupled Electron Transfer Mechanisms in Terms of Topographic Features of the Ground and Excited Potential Energy Surfaces
A Unified Perspective on the Hydrogen Atom Transfer and Proton-Coupled Electron Transfer Mechanisms in Terms of Topographic Features of the Ground and Excited Potential Energy Surfaces
212 views
Theoretical modeling of optical properties of Ag8 and Ag14 silver clusters embedded in an LTA sodalite zeolite cavity
Theoretical modeling of optical properties of Ag8 and Ag14 silver clusters embedded in an LTA sodalite zeolite cavity
212 views
The Exchange Coupling in Cr 3 O n ( n = 0−3) Clusters
The Exchange Coupling in Cr 3 O n ( n = 0−3) Clusters
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Design of aromatic heteropolycyclics containing borole frameworks
Design of aromatic heteropolycyclics containing borole frameworks
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Structure and stability of aluminium doped lithium clusters (LinAl0/+, n = 1–8): a case of the phenomenological shell model
Structure and stability of aluminium doped lithium clusters (LinAl0/+, n = 1–8): a case of the phenomenological shell model
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Free radical pathways for the prebiotic formation of xanthine and isoguanine from formamide
Free radical pathways for the prebiotic formation of xanthine and isoguanine from formamide
217 views
Electronic Structure of Germanium Monohydrides Ge n H, n = 1−3
Electronic Structure of Germanium Monohydrides Ge n H, n = 1−3
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A Stochastic Search for the Structures of Small Germanium Clusters and Their Anions: Enhanced Stability by Spherical Aromaticity of the Ge 10 and Ge 122− Systems
A Stochastic Search for the Structures of Small Germanium Clusters and Their Anions: Enhanced Stability by Spherical Aromaticity of the Ge 10 and Ge 122− Systems
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Silole-based oligomers as electron transport materials
Silole-based oligomers as electron transport materials
213 views
Inversion Processes in Phosphines and Their Radical Cations:  When Is a Pseudo-Jahn−Teller Effect Operative? †
Inversion Processes in Phosphines and Their Radical Cations:  When Is a Pseudo-Jahn−Teller Effect Operative? †
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Remarkable Blue Shifts of C−H and N−H Stretching Frequencies in the Interaction of Monosubstituted Formaldehyde and Thioformaldehyde with Nitrosyl Hydride
Remarkable Blue Shifts of C−H and N−H Stretching Frequencies in the Interaction of Monosubstituted Formaldehyde and Thioformaldehyde with Nitrosyl Hydride
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Fast Reactions of Hydroxycarbenes: Tunneling Effect versus Bimolecular Processes
Fast Reactions of Hydroxycarbenes: Tunneling Effect versus Bimolecular Processes
214 views
Mechanism and Kinetics of the Reaction of Acetylene and Nitric Oxide
Mechanism and Kinetics of the Reaction of Acetylene and Nitric Oxide
212 views
Lithium-Doped Germanium Nanowire? Experimental and Theoretical Indication
Lithium-Doped Germanium Nanowire? Experimental and Theoretical Indication
214 views