'Isodensity surface' diaporamas de présentation

MOLDEN: a pre- and post- processing program for molecular and electronic structures

MOLDEN: a pre- and post- processing program for molecular and electronic structures. Interfaced via program output. Gaussian GAMESS-US GAMESS-UK MOPAC, AMPAC. Interfaced via Molden Format. MOLPRO ACESII MOLCAS JAGUAR ADF DALTON HONDO CADPAC. Molecular Builder/Editor.

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MOLDEN: a pre- and post- processing program for molecular and electronic structures

MOLDEN: a pre- and post- processing program for molecular and electronic structures. Interfaced via program output. Gaussian GAMESS-US GAMESS-UK MOPAC, AMPAC. Interfaced via Molden Format. MOLPRO ACESII MOLCAS JAGUAR ADF DALTON HONDO CADPAC. Molecular Builder/Editor.

423 views • 28 slides

ParaSurf Surface-Generation Program

184 views • 6 slides

Applications III: Excited States, Solutions, Surfaces

Applications III: Excited States, Solutions, Surfaces. Lecture CompChem 7 Chemistry 347 Hope College. Excited State Methods. Difficult to compute,as methods tend to find the ground state ZINDO: semi-empirical CIS (CI-Singles): fast, robust, qualitative TD (Time Dependent): fast

247 views • 6 slides