Computational Chemistry
Latest Publications

TOTAL DOCUMENTS

9

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2

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Published By Springer International Publishing

9783319309149, 9783319309163

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Semiempirical Calculations

Computational Chemistry ◽

10.1007/978-3-319-30916-3_6 ◽

2016 ◽

pp. 421-482 ◽

Cited By ~ 1

Author(s):

Errol G. Lewars

Keyword(s):

Semiempirical Calculations

Molecular Mechanics

Computational Chemistry ◽

10.1007/978-3-319-30916-3_3 ◽

2016 ◽

pp. 51-99 ◽

Cited By ~ 1

Author(s):

Errol G. Lewars

Keyword(s):

Molecular Mechanics

The Concept of the Potential Energy Surface

Computational Chemistry ◽

10.1007/978-3-319-30916-3_2 ◽

2016 ◽

pp. 9-49 ◽

Cited By ~ 3

Author(s):

Errol G. Lewars

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface

Density Functional Calculations

Computational Chemistry ◽

10.1007/978-3-319-30916-3_7 ◽

2016 ◽

pp. 483-563 ◽

Cited By ~ 1

Author(s):

Errol G. Lewars

Keyword(s):

Density Functional Calculations ◽

Density Functional

An Outline of What Computational Chemistry Is All About

Computational Chemistry ◽

10.1007/978-3-319-30916-3_1 ◽

2016 ◽

pp. 1-8

Author(s):

Errol G. Lewars

Keyword(s):

Computational Chemistry

Some “Special” Topics: (Section 8.1) Solvation, (Section 8.2) Singlet Diradicals, (Section 8.3) A Note on Heavy Atoms and Transition Metals

Computational Chemistry ◽

10.1007/978-3-319-30916-3_8 ◽

2016 ◽

pp. 565-612

Author(s):

Errol G. Lewars

Keyword(s):

Transition Metals ◽

Heavy Atoms ◽

Singlet Diradicals

Ab initio Calculations

Computational Chemistry ◽

10.1007/978-3-319-30916-3_5 ◽

2016 ◽

pp. 193-419 ◽

Cited By ~ 1

Author(s):

Errol G. Lewars

Keyword(s):

Ab Initio Calculations ◽

Ab Initio

Selected Literature Highlights, Books, Websites, Software and Hardware

Computational Chemistry ◽

10.1007/978-3-319-30916-3_9 ◽

2016 ◽

pp. 613-643

Author(s):

Errol G. Lewars

Keyword(s):

Software And Hardware

Introduction to Quantum Mechanics in Computational Chemistry

Computational Chemistry ◽

10.1007/978-3-319-30916-3_4 ◽

2016 ◽

pp. 101-191 ◽

Cited By ~ 3

Author(s):

Errol G. Lewars

Keyword(s):

Quantum Mechanics ◽

Computational Chemistry