Quantum Chemistry

2 Open Access Books

38 Authors and Editors

28 Web of Science Citations

13 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

1654
2. Quantum Chemistry and Chemometrics Applied to Conformational Analysis

By Aline Thaís Bruni and Vitor Barbanti Pereira Leite

Part of book: Quantum Chemistry

2360
3. 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

1981

Most downloaded chapters in this category in last 30 days

Chapter title
1. 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

2. DFT Calculations and Statistical Mechanics Applied to Isomerization of Pseudosaccharins

By Zuriel Natanael Cisneros-García, David Alejandro Hernández- Velázquez, Francisco J. Tenorio and Jaime Gustavo Rodríguez- Zavala

Part of book: Density Functional Calculations

3. Spectral Calculations with DFT

By Ataf Ali Altaf, Samia Kausar and Amin Badshah

Part of book: Density Functional Calculations

4. Constricted Variational Density Functional Theory Approach to the Description of Excited States

By Florian Senn, Issaka Seidu and Young Choon Park

Part of book: Density Functional Calculations

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

By Irena Kratochvilova

Part of book: Quantum Chemistry

6. 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

7. Mechanistic Study on the Formation of Compounds from Thioureas

By Warjeet S. Laitonjam and Lokendrajit Nahakpam

Part of book: Density Functional Calculations

8. Catalytic Activation of PVP-Stabilized Gold/Silver Cluster on p- Nitrophenol Reduction: A DFT

By Madhulata Shukla and Indrajit Sinha

Part of book: Density Functional Calculations

9. Composite Method Employing Pseudopotential at CCSD(T) Level

By Nelson Henrique Morgon

Part of book: Quantum Chemistry

10. Quantum Chemistry and Chemometrics Applied to Conformational Analysis

By Aline Thaís Bruni and Vitor Barbanti Pereira Leite

Part of book: Quantum Chemistry