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Questions Tagged with "computational chemistry"

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I get this error in Gaussian09 even though I have enough memory. "Error termination in NtrErr: NtrErr called from FIOCnC." Any suggestions?

1 answer

Matter Modeling Asked 2 years ago by QuantumX

How well can we model chemical synthesis?

3 answer

Matter Modeling Asked 2 years ago by Anyon

Computational chemistry software to generate files of cartesian coordinates and zmatrix of molecules

1 answer

Chemistry Asked 3 years ago

What is the role of a chemist in computational chemistry?

4 answer

Matter Modeling Asked 3 years ago by Georgios Karaiskakis

Szabo and Ostlund's calculation of repulsion integral on page 172 via A.41

1 answer

Chemistry Asked 3 years ago

Reference request: Textbook similar in structure to "Computational Materials Science: An Introduction" by June Lee for Computational Biology

0 answer

Computational Science Asked 3 years ago

What is the origin of rotational energy barrier in ethane?

1 answer

Chemistry Asked 3 years ago

Two-electron integral algorithm

1 answer

Chemistry Asked 3 years ago by Erik Kjellgren

What would the full hypothetical Mars terraforming roadmap look like?

3 answer

Space Exploration Asked 2 years ago by Elgirhath

How does the Mars 2020 rover's suspension and center of gravity compare to Curiosity's?

1 answer

Space Exploration Asked 2 years ago

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