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First‐Principles Study on Electronic and Optical Properties of Novel Potential Photocatalytic Water‐Splitting Material: Blue‐P/Hf2CO2 vdW Heterostructure.
Published in:
International Journal of Quantum Chemistry, 2024, v. 124, n. 22, p. 1, doi. 10.1002/qua.27518
By:
- Wang, Zheng;
- Zhang, Zilong;
- Xie, Luogang;
- Yang, Yang;
- Yuan, Chaosheng;
- Li, Junyu;
- Feng, Shiquan
Publication type:
Article
Solution of Schrödinger Equation for Simple Diatomic Molecules Using One‐Parameter 1s Slater‐Type Orbitals Wave Function.
Published in:
International Journal of Quantum Chemistry, 2024, v. 124, n. 22, p. 1, doi. 10.1002/qua.27517
By:
- Riyanto, Fiqri Aditya;
- Jaelani, Achmad;
- Prayitno, Teguh Budi;
- Hanna, Muhammad Yusrul;
- Sarwono, Yanoar P.
Publication type:
Article
Performance of Minnesota Functionals on Vibrational Frequency.
Published in:
International Journal of Quantum Chemistry, 2024, v. 124, n. 22, p. 1, doi. 10.1002/qua.27516
By:
- Wang, Jiaxu;
- Zhang, Cheng;
- Li, Yaqi;
- Zhou, Yini;
- Shu, Yuanyuan;
- Liang, Songping;
- Zhang, Gaihua;
- Liu, Zhonghua;
- Wang, Ying
Publication type:
Article
Investigation of the Optoelectronic, γ‐Attenuation, and Thermodynamic Properties of Novel MnGa2P3H4NO14 for Energy Applications: A DFT Study.
Published in:
International Journal of Quantum Chemistry, 2024, v. 124, n. 22, p. 1, doi. 10.1002/qua.27512
By:
- Irfan, Muhammad;
- Ahmed, Emad M.;
- Issa, Shams A. M.;
- Zakaly, H. M. H.
Publication type:
Article
The Interaction Between Fluorinated Additives and Imidazolyl Ionic Liquid Electrolytes in Lithium Metal Batteries: A First‐Principles Study.
Published in:
International Journal of Quantum Chemistry, 2024, v. 124, n. 22, p. 1, doi. 10.1002/qua.27507
By:
- Sun, Rongde;
- Tang, Jiaxin;
- Zhou, Nan;
- Li, Chengren;
- Yang, Baifeng;
- Chen, Zhigao;
- Lu, Xiaohan;
- Luo, Tingyu;
- Chang, Zhen;
- Peng, Changjun;
- Liu, Honglai;
- Zhang, Shaoze
Publication type:
Article
Prediction of Molar Entropy of Gaseous Molecules for a New Pὃschl‐Teller Potential Model.
Published in:
International Journal of Quantum Chemistry, 2024, v. 124, n. 22, p. 1, doi. 10.1002/qua.27505
By:
- Abdulameer, Maryam Hussein;
- Ali, Ali B. M.;
- Nemah, Ahmed K.;
- Kanjariya, Prakash;
- Rajiv, Asha;
- Agarwal, Mohit;
- Kaur, Parjinder;
- Almehizia, Abdulrahman A.
Publication type:
Article
ISI Energy Change Due to an Edge Deletion.
Published in:
International Journal of Quantum Chemistry, 2024, v. 124, n. 22, p. 1, doi. 10.1002/qua.27501
By:
- Bilal, Ahmad;
- Munir, Muhammad Mobeen
Publication type:
Article
Issue Information.
Published in:
International Journal of Quantum Chemistry, 2024, v. 124, n. 22, p. 1, doi. 10.1002/qua.27171
Publication type:
Article

Found: 8

First‐Principles Study on Electronic and Optical Properties of Novel Potential Photocatalytic Water‐Splitting Material: Blue‐P/Hf<sub>2</sub>CO<sub>2</sub> vdW Heterostructure.

Solution of Schrödinger Equation for Simple Diatomic Molecules Using One‐Parameter 1s Slater‐Type Orbitals Wave Function.

Performance of Minnesota Functionals on Vibrational Frequency.

Investigation of the Optoelectronic, γ‐Attenuation, and Thermodynamic Properties of Novel MnGa<sub>2</sub>P<sub>3</sub>H<sub>4</sub>NO<sub>14</sub> for Energy Applications: A DFT Study.

The Interaction Between Fluorinated Additives and Imidazolyl Ionic Liquid Electrolytes in Lithium Metal Batteries: A First‐Principles Study.

Prediction of Molar Entropy of Gaseous Molecules for a New Pὃschl‐Teller Potential Model.

ISI Energy Change Due to an Edge Deletion.

Issue Information.