Quantum Chemistry

2 Open Access Books

38 Authors and Editors

28 Web of Science Citations

22 Dimensions Citations

Most cited chapters in this category

Chapter titleDownloads
1. Elementary Molecular Mechanisms of the Spontaneous Point Mutations in DNA: A Novel Quantum-Chemical Insight into the Classical Understanding

By Ol'ha O. Brovarets‘, Iryna M. Kolomiets‘ and Dmytro M. Hovorun

Part of book: Quantum Chemistry

1707
2. Quantum Chemistry and Chemometrics Applied to Conformational Analysis

By Aline Thaís Bruni and Vitor Barbanti Pereira Leite

Part of book: Quantum Chemistry

2415
3. Carbon Nanotubes: Molecular and Electronic Properties of Regular and Defective Structures

By María Leonor Contreras Fuentes and Roberto Rozas Soto

Part of book: Density Functional Calculations

76

Most downloaded chapters in this category in last 30 days

Chapter title
1. The DFT+U: Approaches, Accuracy, and Applications

By Sarah A. Tolba, Kareem M. Gameel, Basant A. Ali, Hossam A. Almossalami and Nageh K. Allam

Part of book: Density Functional Calculations

2. Mechanistic Study on the Formation of Compounds from Thioureas

By Warjeet S. Laitonjam and Lokendrajit Nahakpam

Part of book: Density Functional Calculations

3. Theoretical Study for High Energy Density Compounds from Cyclophosphazene

By Kun Wang, Jian-Guo Zhang, Hui-Hui Zheng, Hui-Sheng Huang and Tong-Lai Zhang

Part of book: Quantum Chemistry

4. Elementary Molecular Mechanisms of the Spontaneous Point Mutations in DNA: A Novel Quantum-Chemical Insight into the Classical Understanding

By Ol'ha O. Brovarets‘, Iryna M. Kolomiets‘ and Dmytro M. Hovorun

Part of book: Quantum Chemistry

5. Carbon Nanotubes: Molecular and Electronic Properties of Regular and Defective Structures

By María Leonor Contreras Fuentes and Roberto Rozas Soto

Part of book: Density Functional Calculations

6. Quantum Chemical Calculations for some Isatin Thiosemicarbazones

By Fatma Kandemirli, M. Iqbal Choudhary, Sadia Siddiq, Murat Saracoglu, Hakan Sayiner, Taner Arslan, Ayşe Erbay and Baybars Köksoy

Part of book: Quantum Chemistry

7. Quantum Chemistry and Chemometrics Applied to Conformational Analysis

By Aline Thaís Bruni and Vitor Barbanti Pereira Leite

Part of book: Quantum Chemistry

8. Numerical Solution of Linear Ordinary Differential Equations in Quantum Chemistry by Spectral Method

By Masoud Saravi and Seyedeh-Razieh Mirrajei

Part of book: Quantum Chemistry

9. Quantum Transport and Quantum Information Processing in Single Molecular Junctions

By Tomofumi Tada

Part of book: Quantum Chemistry

10. Charge Carrier Mobility in Phthalocyanines: Experiment and Quantum Chemical Calculations

By Irena Kratochvilova

Part of book: Quantum Chemistry