Illustrative Visualization of Molecular Reactions using Omniscient Intelligence and Passive Agents

Computer Graphics Forum ◽

10.1111/cgf.12370 ◽

2014 ◽

Vol 33 (3) ◽

pp. 141-150 ◽

Author(s):

M. Le Muzic ◽

J. Parulek ◽

A.K. Stavrum ◽

I. Viola

Keyword(s):

Illustrative Visualization ◽

Molecular Reactions

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Critical quantities for solar system science in atomic and molecular reactions

10.1063/1.39283 ◽

1990 ◽

Author(s):

D. E. Shemansky

Keyword(s):

Solar System ◽

System Science ◽

Molecular Reactions

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Calculation of the preexponential factors of free-radical and molecular reactions based on the principle of bond entropy additivity

Theoretical and Experimental Chemistry ◽

10.1007/bf00527248 ◽

1972 ◽

Vol 5 (4) ◽

pp. 323-328

Author(s):

M. P. Mulyava ◽

V. U. Shevchuk

Keyword(s):

Free Radical ◽

Molecular Reactions

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Nudged Elastic Band Method for Molecular Reactions Using Energy-Weighted Springs Combined with Eigenvector Following

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.1c00462 ◽

2021 ◽

Author(s):

Vilhjálmur Ásgeirsson ◽

Benedikt Orri Birgisson ◽

Ragnar Bjornsson ◽

Ute Becker ◽

Frank Neese ◽

...

Keyword(s):

Elastic Band ◽

Band Method ◽

Molecular Reactions

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Ion-molecular reactions in methyl halides. Behavior of methyl cations and halide transfer reactions

Journal of the American Chemical Society ◽

10.1021/ja00813a004 ◽

1974 ◽

Vol 96 (6) ◽

pp. 1665-1671 ◽

Author(s):

J. M. S. Henis ◽

M. D. Loberg ◽

M. J. Welch

Keyword(s):

Transfer Reactions ◽

Methyl Halides ◽

Molecular Reactions

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Illustrative visualization

ACM SIGGRAPH Computer Graphics ◽

10.1145/1408626.1408633 ◽

2008 ◽

Vol 42 (3) ◽

pp. 1-8 ◽

Author(s):

Peter Rautek ◽

Stefan Bruckner ◽

Eduard Gröller ◽

Ivan Viola

Keyword(s):

Illustrative Visualization

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Localized orbital corrections applied to thermochemical errors in density functional theory: The role of basis set and application to molecular reactions

The Journal of Chemical Physics ◽

10.1063/1.3008062 ◽

2008 ◽

Vol 129 (21) ◽

pp. 214105 ◽

Author(s):

Dahlia A. Goldfeld ◽

Arteum D. Bochevarov ◽

Richard A. Friesner

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Basis Set ◽

Functional Theory ◽

Localized Orbital ◽

Molecular Reactions

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Quantum Theory of Molecular Reactions and Photodissociation

Current Developments in Atomic, Molecular, and Chemical Physics with Applications ◽

10.1007/978-1-4615-0115-2_11 ◽

2002 ◽

pp. 79-84

Author(s):

Gabriel G. Balint-Kurti

Keyword(s):

Quantum Theory ◽

Molecular Reactions

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Molecular Reactions: The Diels-Alder and other reactions

Reaction Mechanisms in Environmental Organic Chemistry ◽

10.1201/9780203741245-7 ◽

2018 ◽

pp. 415-419

Author(s):

Richard A. Larson ◽

Eric J. Weber

Keyword(s):

Diels Alder ◽

Molecular Reactions

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Competition between intra- and inter-molecular reactions of borates: a new route to 1,4-dihydro-1,4-distannines

Journal of the Chemical Society Chemical Communications ◽

10.1039/c39860001170 ◽

1986 ◽

pp. 1170 ◽

Author(s):

Susanna Kerschl ◽

Bernd Wrackmeyer

Keyword(s):

Molecular Reactions

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Fast Illustrative Visualization of Fiber Tracts

Advances in Visual Computing - Lecture Notes in Computer Science ◽

10.1007/978-3-642-33179-4_66 ◽

2012 ◽

pp. 698-707 ◽

Author(s):

Jesús Díaz-García ◽

Pere-Pau Vázquez

Keyword(s):

Fiber Tracts ◽

Illustrative Visualization

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