Structure and Bonding - Applications of Density Functional Theory to Chemical Reactivity
Latest Publications

TOTAL DOCUMENTS

5

(FIVE YEARS 0)

H-INDEX

3

(FIVE YEARS 0)

Published By Springer Berlin Heidelberg

9783642327520, 9783642327537

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Applying Conventional Ab Initio and Density Functional Theory Approaches to Electric Property Calculations. Quantitative Aspects and Perspectives

Structure and Bonding - Applications of Density Functional Theory to Chemical Reactivity ◽

10.1007/978-3-642-32753-7_3 ◽

2012 ◽

pp. 95-129 ◽

Cited By ~ 21

Author(s):

George Maroulis

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Density Functional ◽

Electric Property ◽

Functional Theory

Download Full-text

Density Functional Theory of Bose–Einstein Condensation: Road to Chemical Bonding Quantum Condensate

Structure and Bonding - Applications of Density Functional Theory to Chemical Reactivity ◽

10.1007/978-3-642-32753-7_1 ◽

2012 ◽

pp. 1-49 ◽

Cited By ~ 8

Author(s):

Mihai V. Putz

Keyword(s):

Density Functional Theory ◽

Chemical Bonding ◽

Density Functional ◽

Einstein Condensation ◽

Functional Theory ◽

Bose Einstein Condensation ◽

Bose Einstein

Download Full-text

Application of Reactivity Indices Within Density Functional Theory to Rationale Chemical Interactions

Structure and Bonding - Applications of Density Functional Theory to Chemical Reactivity ◽

10.1007/978-3-642-32753-7_5 ◽

2012 ◽

pp. 159-186

Author(s):

Abhijit Chatterjee

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Chemical Interactions ◽

Functional Theory ◽

Reactivity Indices

Download Full-text

Information Theory Insights into Molecular Electronic Structure and Reactivity

Structure and Bonding - Applications of Density Functional Theory to Chemical Reactivity ◽

10.1007/978-3-642-32753-7_2 ◽

2012 ◽

pp. 51-93 ◽

Cited By ~ 16

Author(s):

Roman F. Nalewajski

Keyword(s):

Information Theory ◽

Electronic Structure ◽

Molecular Electronic ◽

Molecular Electronic Structure

Download Full-text

Descriptors as Probes for Inter-Molecular Interactions and External Perturbation

Structure and Bonding - Applications of Density Functional Theory to Chemical Reactivity ◽

10.1007/978-3-642-32753-7_4 ◽

2012 ◽

pp. 131-158 ◽

Cited By ~ 1

Author(s):

Sourav Pal

Keyword(s):

Molecular Interactions ◽

External Perturbation

Download Full-text