Works matching IS 00207608 AND DT 2024 AND VI 124 AND IP 20

Results: 8

Theoretical Study on the Dissociation Mechanism of Thiophene in the UV Photoabsorption, Ionization, and Electron Attachment Processes.

Published in:

International Journal of Quantum Chemistry, 2024, v. 124, n. 20, p. 1, doi. 10.1002/qua.27503

By:

Upadhyaya, Hari P.

Publication type:

Article

DFT Analysis of Transition Metal (TM) Substitutions on Cu‐Based Chalcogenides: Structural, Electronic, and Thermophysical Properties for Interface Thermal Performance and Energy.

Published in:

International Journal of Quantum Chemistry, 2024, v. 124, n. 20, p. 1, doi. 10.1002/qua.27500

By:

Abbas, Zeesham;
Mirza, Shafaat Hussain;
Parveen, Amna;
Aslam, Muhammad;
Zatsepin, Anatoly;
Nassani, Abdelmohsen A.

Publication type:

Article

Combinatory Effect of Gemcitabine and 5‐Fluorouracil Investigated Through Chemoinformatics and Molecular Dynamics Simulation Against Breast Cancer.

Published in:

International Journal of Quantum Chemistry, 2024, v. 124, n. 20, p. 1, doi. 10.1002/qua.27498

By:

Sukumaran, Sureba;
Zochedh, Azar;
Chandran, Kaliraj;
Sultan, Asath Bahadur;
Kathiresan, Thandavarayan

Publication type:

Article

Investigating the Role of Anions in the Adsorption of Pyrrolidinium Based Ionic Liquids on Pt(111) Surface Using Density Functional Theory.

Published in:

International Journal of Quantum Chemistry, 2024, v. 124, n. 20, p. 1, doi. 10.1002/qua.27497

By:

Sarkar, Arka Prava

Publication type:

Article

Study of the Torquoselectivity of a Set of Unusual Ring‐Opening Electrocyclic Reactions: Determination of the Electronic Bonding Structure Through the Methodologies of Natural Bond Orbital Analysis and Quantum Theory of Atoms in Molecules, and Analysis of the Electronic Reaction Mechanism Through Bond Reactivity Descriptors

Published in:

International Journal of Quantum Chemistry, 2024, v. 124, n. 20, p. 1, doi. 10.1002/qua.27494

By:

Sánchez‐Márquez, Jesús;
Morales‐Bayuelo, Alejandro

Publication type:

Article

α,β‐C—C—C Agostic Bonding Interactions in Ruthenacyclobutane and π‐Complex Assisted Olefin Metathesis Catalyzed by Ruthenium‐Alkylidene Complexes.

Published in:

International Journal of Quantum Chemistry, 2024, v. 124, n. 20, p. 1, doi. 10.1002/qua.27493

By:

Mitan, Carmen‐Irena;
Dragutan, Valerian;
Filip, Petru

Publication type:

Article

Computational Study of the Formation of Atmospheric Aerosol Precursors Under Ambient Conditions: A Case Study of the Interaction Between Sea Salt, Water, and Sulfuric Acid Molecules.

Published in:

International Journal of Quantum Chemistry, 2024, v. 124, n. 20, p. 1, doi. 10.1002/qua.27489

By:

Vadgama, Dhyani;
Srivastava, Rohit;
Shinde, Satyam

Publication type:

Article

Issue Information.

Published in:: International Journal of Quantum Chemistry, 2024, v. 124, n. 20, p. 1, doi. 10.1002/qua.27169
Publication type:: Article