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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...”
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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...”
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3
Published 1987
Springer US
Subjects: “...Computer Applications in Chemistry...”
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4
Published 2010
Springer Netherlands
Subjects: “...Chemistry, Physical and theoretical...”
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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...”
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6
by Cropper, William H.
Published 1998
Springer New York
Table of Contents: “... -- Appendixes -- A. A List of the Program and Data Files on the Disk -- B. Mathematica and Physical Chemistry...”
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7
Published 2021
Springer International Publishing
Table of Contents: “...-type Orbitals -- Local Orbitals in Quantum Chemistry -- An introduction to discretization error...”
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8
by Veszprémi, Tamás, Fehér, Miklós
Published 1999
Springer US
Table of Contents: “... with the Schrödinger Equation -- 4. Quantum Chemistry: A Hierarchy of Approximations -- 5. Methods of Solution -- 6...”
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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...”
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10
Published 2014
Springer Netherlands
Table of Contents: “.... Application for In Vitro and In Vivo Processes Modeling -- 11 Computational Toxicology in Drug Discovery...”
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11
Published 2002
Springer Netherlands
Table of Contents: “... Potential in Semiempirical SCF Schemes -- Quasicrystals and Momentum Space -- Quantum Chemistry Computations...”
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12
Published 2011
Springer Netherlands
Table of Contents: “...-and-conquer approaches to quantum chemistry: Theory and implementation -- Mathematical formulation...”
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13
Published 2016
Springer International Publishing
Table of Contents: “... Energy Functions -- 4. Exploring Chemistry Through the Source Function for the Electron and Spin...”
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14
by Quinn, Charles M.
Published 2002
Academic Press
Subjects: “...Quantum chemistry / Data processing...”
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15
Published 2012
Springer Netherlands
Subjects: “...Chemistry, Physical and theoretical...”
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16
Published 2020
Springer Netherlands
Subjects: “...Theoretical and Computational Chemistry...”
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17
Published 1970
Springer US
Table of Contents: “... -- II Dedicated Computer in the Laboratory -- 1. General -- 2. Off-Line Computer -- 3. On-Line Computer...”
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18
Published 2017
Springer International Publishing
Table of Contents: “...From the Contents: From Quantum Theory to Computational Chemistry -- Exceptional status...”
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19
Published 1990
Springer Berlin Heidelberg
Table of Contents: “... of Experiment and Computational Chemistry -- Conformational Analysis of Peptides Using Molecular Dynamics...”
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20
Published 1985
Springer Berlin Heidelberg
Table of Contents: “... computer-abhängige Methode -- 8.1Einleitung -- 8.2 Das Prinzip der Röntgenbeugung -- 8.3 Ablauf einer...”