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 Density functional theory Chemical bond Ionization Transition metal RDX Nuclear magnetic resonance Molecular dynamics Iodine Gibbs free energy Alkoxy group Bond-dissociation energy Adsorption Band gap X-ray crystallography Carbon HOMO/LUMO Spectroscopy Scanning electron microscope Mass spectrometry Electrospray ionization High-performance liquid chromatography Protein Ion Graphene Trinitrotoluene HMX Triazine Polymer Pentaerythritol tetranitrate Magnetic resonance imaging Infrared spectroscopy Acid Hydrogen bond Thermodynamic free energy Apoptosis Fatty acid Enthalpy Entropy Heat capacity Tocopherol Thermogravimetric analysis
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The publications listed also have these subjects
Density functional theory  4 times
Chemical bond  4 times
Ionization  3 times
Transition metal  2 times
RDX  2 times
Nuclear magnetic resonance  2 times
Molecular dynamics  2 times
Iodine  2 times
Gibbs free energy  2 times
Tyrosine  1 time
Trinitrotoluene  1 time
Triazole  1 time
Triazine  1 time
Tocopherol  1 time
Spinel  1 time
Selenium  1 time
Pyrrole  1 time
Polymer  1 time
Photoelectric effect  1 time
Phenol  1 time
P-Cresol  1 time
Overpotential  1 time
Nanowire battery  1 time
Nanowire  1 time
Molecular orbital  1 time
Molecular geometry  1 time
Methyl group  1 time
Mathematical optimization  1 time
Mass spectrometry  1 time
MPEG-1 Audio Layer II  1 time
Lysine  1 time
Lead  1 time
Lauric acid  1 time
Kinetic energy  1 time
Ion  1 time
Hydrogenation  1 time
Hydrogen  1 time
Harmonic oscillator  1 time
Hardness  1 time
Graphene  1 time
Functional group  1 time
Electrospray ionization  1 time
Electron affinity  1 time
Correlation and dependence  1 time
Collision-induced dissociation  1 time
Cathode  1 time
Carbon  1 time
Calcination  1 time
Butyl group  1 time
Azide  1 time
Arginine  1 time
Adsorption  1 time

Publications tagged with this subject: 12

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1. Synthesis, Spectroscopic and Computational Studies of CT Complexes of Amino Acids with Iodine as σ Acceptor

2. A computational study of ANTA and NTO derivatives

3. Hydrogen evolution activity enhancement by tuning the oxygen vacancies in self-supported mesoporous spinel oxide nanowire arrays

4. Dissociation energies of O–H bonds in alkylseleno- and alkyltelluro-substituted phenols

5. Molecular design and performance prediction of poly-dinitroamino pyrrole compounds as energetic materials

6. How Hot are Your Ions Really? A Threshold Collision-Induced Dissociation Study of Substituted Benzylpyridinium “Thermometer” Ions

7. Ab Initio Molecular Dynamics Studies of Pb m Sb n (m + n ≤ 9) Alloy Clusters

8. A DFT and QSAR study of the role of hydroxyl group, charge and unpaired-electron distribution in anthocyanidin radical stabilization and antioxidant activity

9. A first-principles study of Ni n Pd n (n = 1 − 5) clusters

10. Research on surface nano-texturation and wet-chemical passivation of multi-crystalline silicon wafer

11. Hardness maximization or equalization? New insights and quantitative relations between hardness increase and bond dissociation energy

12. Hydrogenation of graphene nanoflakes and C–H bond dissociation of hydrogenated graphene nanoflakes: a density functional theory study


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