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Robert S. Mulliken   New Search

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Density functional theory  8 times
Quantum mechanics  3 times
Molecular orbital  3 times
Polarizability  2 times
Nuclear magnetic resonance  2 times
HOMO/LUMO  2 times
Adsorption  2 times
Zinc  1 time
Work function  1 time
Urea  1 time
Toluene  1 time
Solvation  1 time
Pulse-code modulation  1 time
Pseudomonas aeruginosa  1 time
Properties of water  1 time
Phosphate  1 time
Phenol  1 time
Nonlinear optics  1 time
Nanosensor  1 time
Molecular beam epitaxy  1 time
Mass spectrometry  1 time
Isomer  1 time
Ionization  1 time
Ion  1 time
Imidazole  1 time
Hydronium  1 time
Hydrogen storage  1 time
Hydrogen  1 time
Hybrid functional  1 time
Graphene  1 time
Fluid catalytic cracking  1 time
Extrinsic semiconductor  1 time
Exothermic process  1 time
Electronegativity  1 time
Electron affinity  1 time
Electric field  1 time
DNA  1 time
Cyclic voltammetry  1 time
Coumarin  1 time
Chemical bond  1 time
Carboxylic acid  1 time
Carbazole  1 time
Calcium phosphate  1 time
Calcium  1 time
Biomass  1 time
Benzophenone  1 time
Benzene  1 time
Band gap  1 time
Aldehyde  1 time

Publications tagged with this subject: 13

Note: Top 50 publications shown only. Open an item panel to view more info (open all)


1. Study on Photophysical Properties of N-Arylphthalamic Acid Derivative Containing 1, 2, 4-Triazole Scaffold

2. Substituent Modulation from ESIPT to ICT Emission in Benzoimidazolphenyl-methanones Derivatives: Synthesis, Photophysical and DFT Study

3. Investigation of NLO Properties of Fluorescent BORICO Dyes: a Comprehensive Experimental and Theoretical Approach

4. Quantum chemical studies of azoles 8. Effect of N(2)-methyl substituent on the calculated thermodynamic parameters of electrophilic substitution in tetrazole according to the elimination–addition scheme without preceding formation of N-protonated azo

5. Enhanced NLO response in BODIPY-coumarin hybrids: density functional theory approach

6. Deciphering the electric field changes in the channel of an open quantum system to detect DNA nucleobases

7. Quantum-Chemical Analysis of the Electronic Structures of Inhibiting Complexes of Rhamnolipid with Metals

8. Catalytic cracking mechanisms of tar model compounds

9. NLOphoric 3,6-di(substituted quinoxalin) Carbazoles – Synthesis, Photophysical Properties and DFT Studies

10. Study of Alcohol and Aldehydes Interaction on the Surface of Silicane Nanosheet: Application of Density Functional Theory

11. Comparison of GaAs photocathode grown by MOCVD and MBE: a first-principle and experimental research

12. Structures and electronic properties of CumCon-CO-H2O (m + n = 2 -7) clusters

13. Theoretical insight into the BH3·HCN adsorption on the Co(100) and Co(110) surfaces as hydrogen storage


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