Works matching IS 00207608 AND DT 2025 AND VI 125 AND IP 1

Results: 14

Configurational and Conformational Studies of Quinolizidine and Beta‐Carboline Moieties in the Corynanthe‐Tryptamine Alkaloids.

Published in:

International Journal of Quantum Chemistry, 2025, v. 125, n. 1, p. 1, doi. 10.1002/qua.70008

By:

Grigoriev, Dmitry A.;
Semenov, Valentin A.;
Angenot, Luc;
Krivdin, Leonid B.

Publication type:

Article

Electronic and Magnetic Properties of Small Nickel Clusters Nin (n ≤ 15): First Principle Study.

Published in:

International Journal of Quantum Chemistry, 2025, v. 125, n. 1, p. 1, doi. 10.1002/qua.70007

By:

Chibani, M.;
Benamara, S.;
Zitoune, H.;
Lasmi, M.;
Benchalal, L.;
Lamiri, L.;
Samah, M.

Publication type:

Article

Spectroscopic, DFT, In Silico, and Estimation of Biological Activity of 2,4‐Dichloro‐6,7‐Dimethoxyquinazoline as a Potential Anti‐Alzheimer's Disease Therapeutic Agent.

Published in:

International Journal of Quantum Chemistry, 2025, v. 125, n. 1, p. 1, doi. 10.1002/qua.70006

By:

Asokan, Karthikeyan;
Sivaraman, Sumathi;
Nallasamy, Karthik;
Subbiah, Jeyavijayan;
Paranthaman, Selvarengan

Publication type:

Article

Global Analytic Potential Energy Surface of PH2+ (13A″) and Dynamics Studies of the P+(3P) + D2 Reaction.

Published in:

International Journal of Quantum Chemistry, 2025, v. 125, n. 1, p. 1, doi. 10.1002/qua.70004

By:

Li, Meirong;
Li, Xia;
Yang, Zhiyong;
Zhu, Ziliang;
Xing, Wei

Publication type:

Article

Directed Covalent Bond in Group 16 Dihydrides.

Published in:

International Journal of Quantum Chemistry, 2025, v. 125, n. 1, p. 1, doi. 10.1002/qua.70003

By:

Atsumi, Michiko

Publication type:

Article

Computing the Matching Polynomials and Independence Polynomials of Phenylene Chains.

Published in:

International Journal of Quantum Chemistry, 2025, v. 125, n. 1, p. 1, doi. 10.1002/qua.70002

By:

Chen, Hanlin;
Gao, Xiang

Publication type:

Article

Tuning the Triplet Formation Efficiency by Heavy‐Atom Substitution in 3‐Hydroxythiochromone.

Published in:

International Journal of Quantum Chemistry, 2025, v. 125, n. 1, p. 1, doi. 10.1002/qua.70001

By:

Bera, Anshuman;
Nair, Lekshmi R.;
Siraj, Amjatha;
Vennapusa, Sivaranjana Reddy

Publication type:

Article

Graphical Approach to Interpreting and Efficiently Evaluating Geminal Wavefunctions.

Published in:

International Journal of Quantum Chemistry, 2025, v. 125, n. 1, p. 1, doi. 10.1002/qua.70000

By:

Richer, Michelle;
Kim, Taewon D.;
Ayers, Paul W.

Publication type:

Article

Fractional Approach for Diffusion Equations Arising From Oil Pollution Using the Fractional Natural Decomposition Method.

Published in:

International Journal of Quantum Chemistry, 2025, v. 125, n. 1, p. 1, doi. 10.1002/qua.27529

By:

Düşünceli, Faruk;
Çelik, Ercan

Publication type:

Article

Furan Substitution and Ring Fusion Strategies for Enhancing the Fluorescence Performance of Oligothiophene.

Published in:

International Journal of Quantum Chemistry, 2025, v. 125, n. 1, p. 1, doi. 10.1002/qua.27528

By:

Zhang, Yaoxuan;
Zhu, Xiping;
Zheng, Shaohui

Publication type:

Article

Quantitative Structure‐Property Relationship Analysis of Physical and ADMET Properties of Anticancer Drugs Using Domination Topological Indices.

Published in:

International Journal of Quantum Chemistry, 2025, v. 125, n. 1, p. 1, doi. 10.1002/qua.27525

By:

Kuriachan, Geethu;
Angamuthu, Parthiban

Publication type:

Article

Correction to "First‐Principles Quantum Analysis of Promising Double Perovskites Z2SiF6 (Z = K, Li, Na, Rb) as Prospective Light Harvesting Materials: Optoelectronic, Structural and Thermodynamic Properties".

Published in:: International Journal of Quantum Chemistry, 2025, v. 125, n. 1, p. 1, doi. 10.1002/qua.27519
Publication type:: Article

Scattering of Electrons and Positrons by Nitrogen Dioxide.

Published in:

International Journal of Quantum Chemistry, 2025, v. 125, n. 1, p. 1, doi. 10.1002/qua.27475

By:

Kumer, Tusher;
Shorifuddoza, M.;
Das, Pretam K.;
Watabe, Hiroshi;
Shahmohammadi Beni, Mehrdad;
Haque, A. K. Fazlul;
Uddin, M. Alfaz

Publication type:

Article

Issue Information.

Published in:: International Journal of Quantum Chemistry, 2025, v. 125, n. 1, p. 1, doi. 10.1002/qua.27393
Publication type:: Article

Works matching IS 00207608 AND DT 2025 AND VI 125 AND IP 1

Configurational and Conformational Studies of Quinolizidine and Beta‐Carboline Moieties in the Corynanthe‐Tryptamine Alkaloids.

Electronic and Magnetic Properties of Small Nickel Clusters Ni<sub>n</sub> (n ≤ 15): First Principle Study.

Spectroscopic, DFT, In Silico, and Estimation of Biological Activity of 2,4‐Dichloro‐6,7‐Dimethoxyquinazoline as a Potential Anti‐Alzheimer's Disease Therapeutic Agent.

Global Analytic Potential Energy Surface of PH<sub>2</sub><sup>+</sup> (1<sup>3</sup>A″) and Dynamics Studies of the P<sup>+</sup>(<sup>3</sup>P) + D<sub>2</sub> Reaction.

Directed Covalent Bond in Group 16 Dihydrides.

Computing the Matching Polynomials and Independence Polynomials of Phenylene Chains.

Tuning the Triplet Formation Efficiency by Heavy‐Atom Substitution in 3‐Hydroxythiochromone.

Graphical Approach to Interpreting and Efficiently Evaluating Geminal Wavefunctions.

Fractional Approach for Diffusion Equations Arising From Oil Pollution Using the Fractional Natural Decomposition Method.

Furan Substitution and Ring Fusion Strategies for Enhancing the Fluorescence Performance of Oligothiophene.

Quantitative Structure‐Property Relationship Analysis of Physical and ADMET Properties of Anticancer Drugs Using Domination Topological Indices.

Correction to "First‐Principles Quantum Analysis of Promising Double Perovskites Z<sub>2</sub>SiF<sub>6</sub> (Z = K, Li, Na, Rb) as Prospective Light Harvesting Materials: Optoelectronic, Structural and Thermodynamic Properties".

Scattering of Electrons and Positrons by Nitrogen Dioxide.

Issue Information.