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Keyword [CASPT2]
Result: 1 - 13 | Page: 1 of 1
1.
The Photodissociation Mechanisms Of Acrylonitrile: Ab Initio Calculations On Reaction Channels And Surface Intersections
2.
Theoretical Investigation On The Excited States Of HNCS And Its Ions
3.
Theoretical Studies On Excited States Of Organic Molecules
4.
Theoretical Investigation On Photochemistry Of5-diazo Meldrum’s Acid: Wolff Rearrangement And Isomerization
5.
Understanding Interactions Between Molecules
6.
Multireference Ab Initio Study On The Low-lying Excited States Of Isoselenocyanic Acid, HNCSe
7.
Some Photolysis Bromine-containing Compounds From The Mechanism And The Excited State HXY System Of Multi-reference-state Study
8.
Theoretical Investigation On The Electronic States Of Tri-atomic Halogenated Carbenes
9.
Multireference Theoretical Investigations On The Small Molecule Containing Peroxy Radical
10.
The Substitutent Effect On The Spectra And Molecular Configuration Of The Ethynylaniline
11.
Theoretical Studies On Excited States Intramolecular Proton Transfer Reaction Of Some Conjugated Organic Molecules
12.
The Comparative Study Of Excited State Of Transition Metal Compounds By Single Reference State And Multiple Reference State Methods
13.
Theoretical Study Of Electronic Structure And Spectroscopic Constants Of The Osmium Silicide
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