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1
by Lewars, Errol G.
Published 2011
Springer Netherlands
Table of Contents: ...1. An outline of what computational chemistry is all about -- 2. The concept of the potential...

2
by Lewars, Errol G.
Published 2016
Springer International Publishing
Table of Contents: ...1. An Outline of What Computational Chemistry is All About -- 2. The Concept of the Potential...

3
by Lewars, Errol G.
Published 2024
Springer International Publishing
Table of Contents: ...An Outline of What Computational Chemistry is All About -- The Concept of the Potential Energy...

4
Published 2004
Springer Netherlands
...As a result of the advancements in algorithms and the huge increase in speed of computers over...

5
by Ramachandran, K. I., Deepa, Gopakumar, Namboori, Krishnan
Published 2008
Springer Berlin Heidelberg
Table of Contents: ... Computational Methods -- High Performance Computing -- Research in Computational Chemistry and Molecular...

6
Published 2010
Springer Netherlands
Subjects: ...Chemistry, Physical and theoretical...

7
Published 2021
Springer International Publishing
Table of Contents: ...-type Orbitals -- Local Orbitals in Quantum Chemistry -- An introduction to discretization error...

8
Published 2014
Springer Netherlands
Table of Contents: .... Application for In Vitro and In Vivo Processes Modeling -- 11 Computational Toxicology in Drug Discovery...

9
by Gatti, Fabien, Lasorne, Benjamin, Meyer, Hans-Dieter, Nauts, André
Published 2017
Springer International Publishing
Table of Contents: ... to molecular symmetry -- Introduction to numerical methods and to MCTDH -- Part III Applications: Infrared...

10
Published 2011
Springer Netherlands
Table of Contents: ...-and-conquer approaches to quantum chemistry: Theory and implementation -- Mathematical formulation...

11
by Trzaska, Zdzislaw
Published 2023
Springer Nature Switzerland
Subjects: ...Mathematical and Computational Engineering Applications...

12
Published 2019
Springer International Publishing
Table of Contents: ... Database and Analysis Tool -- Applications of Computational Toxicology for Risk Assessment of Food...

13
Published 2016
Springer International Publishing
Table of Contents: ... Energy Functions -- 4. Exploring Chemistry Through the Source Function for the Electron and Spin...

14
Published 2012
Springer Netherlands
Subjects: ...Chemistry, Physical and theoretical...

15
Published 2020
Springer Netherlands
Subjects: ...Theoretical and Computational Chemistry...

16
Published 2017
Springer International Publishing
Table of Contents: ...From the Contents: From Quantum Theory to Computational Chemistry -- Exceptional status...

17
Published 2022
Springer Nature Singapore
Table of Contents: ... Developments on Computer Applications in Pharmaceutics -- Computer Aided Formulation Development -- Quality...

18
by Yu, Kuo-Tsong, Yuan, Xigang
Published 2014
Springer Berlin Heidelberg
Table of Contents: ...) — Fundamentals of Computational Heat Transfer -- Basic Models of Computational Mass Transfer -- Application...

19
by Yu, Kuo-Tsung, Yuan, Xigang
Published 2017
Springer Nature Singapore
Table of Contents: ...Basic Models of Computational Mass Transfer -- Application of Computational Mass Transfer (I...

20
Published 2006
Springer Netherlands
Table of Contents: ... acids: MD simulations of G-DNA and functional RNAs -- Using Computer Simulations to Study Decoding...