#casscf arama sonuçları
![amprny's tweet image. “@WBJS_TH: [pic Cass CF] วูบิน กำลัง บิน #KimWooBin #CassCF http://t.co/Z114jndZUY”](https://pbs.twimg.com/media/BNC-2SBCEAAx7ix.jpg)
That is why they always tell you to select your active space properly. The very last root didn't converge. Ouch! 😥 #compchem #CASSCF #CASPT2 #AcademicProblems
cantik dan ganteng2 *mupeng "@EunHyeINAFC: #CassCF. (7) twitpic.com/98flc1"
“Combining CASSCF with MBE-FCI to treat large active spaces” • Ivan Giannì presenting at the “European Summerschool in Quantum Chemistry” #esqc24 #moleconews #casscf #theoreticalchemistry #compchem #summerschool #molecolab
envy di kelilingi namja2 ganteng "@EunHyeINAFC: #CassCF (1) twitpic.com/98fjjc"
beruntungnya eoni bs dance brg khunnie,, *mau bgd "@EunHyeINAFC: #CassCF. (2) twitpic.com/98fjv4"
jgn sinis gt dunk taecppa liatnya,,, aku nganggur nh,,,, "@EunHyeINAFC: #CassCF. (8) twitpic.com/98flpa"
Glad to host @CompCatLab (Prof. Bhaskar Mondal). His lecture on “Electronic structure and reactivity of metal nitrenoid species” was truly enlightening. #CASSCF #Electronic structure #Open shell systems #Bioinspired catalysis.@cicg_group @CHYIITH @IITHyderabad @SaurabhKS88
Glad to host @CompCatLab (Prof. Bhaskar Mondal). His lecture on “Electronic structure and reactivity of metal nitrenoid species” was truly enlightening. #CASSCF #Electronic structure #Open shell systems #Bioinspired catalysis.@cicg_group @CHYIITH @IITHyderabad @SaurabhKS88
Symmetry Breaking in a Triferrous Extended Metal Atom Chain | Inorganic Chemistry pubs.acs.org/doi/10.1021/ac… Bates and co-workers @InorgChem #RPA #DFT #CASSCF #NEVPT2 #EMAC #triferrous #M3dpa4X2 #JahnTeller
Excited to share our recent work on probing covalency and magnetic properties in Dy sandwich complexes @PCCP @cicg_group @I_Tarannum007 Thanks @serbonline @IITHyderabad for funding #CASSCF #DFT #SMMs
Thrilled to share our latest paper in @PCCP on computational modeling of #Dy_complexes, unraveling their #Electronic_structure, #Bonding, and #Magnetic_properties! pubs.rsc.org/en/Content/Art… #SMM #Magnetism #HeavyMetals @SaurabhKS88 @IITHyderabad @cicg_group
“Combining CASSCF with MBE-FCI to treat large active spaces” • Ivan Giannì presenting at the “European Summerschool in Quantum Chemistry” #esqc24 #moleconews #casscf #theoreticalchemistry #compchem #summerschool #molecolab
Curious about Fullerene chemistry? Just out in @DaltonTrans unlocking the potential of substituted Fullerenes towards designing novel exohedral Dy(III) based SMMs #Bonding #covalency #CASSCF @SaurabhKS88 @KusumKumari_11 @CHYIITH @IITHyderabad @serbonline pubs.rsc.org/en/content/art…
Our recent work on the field induced magnetic behaviour of various Co(II) complexes in distorted square pyramidal geometry got accepted in @DaltonTrans @SaurabhKS88 @shruti_moorthy Thanks @IITHyderabad for the funding. #CASSCF#LigandFieldTheory#SMM pubs.rsc.org/en/content/art…
pubs.rsc.org
Field induced single ion magnet behavior in CoII complexes in a distorted square pyramidal geometry
We report three CoII-based complexes with the general formula [CoII(L)(X)2] by changing the halide/pseudo-halide ions [X = NCSe (1SeCN); Cl (2Cl) and Br (3Br)]. The obtained τ5 and CShM values...
J Chem. Theory Comput. 237Np #Mössbauer Isomer Shifts: A Lesson About the Balance of Static and Dynamic #ElectronCorrelation in Heavy Element Complexes @UBChemistry @JCIM_JCTC #CASSCF pubs.acs.org/doi/10.1021/ac…
That is why they always tell you to select your active space properly. The very last root didn't converge. Ouch! 😥 #compchem #CASSCF #CASPT2 #AcademicProblems
Symmetry Breaking in a Triferrous Extended Metal Atom Chain | Inorganic Chemistry pubs.acs.org/doi/10.1021/ac… Bates and co-workers @InorgChem #RPA #DFT #CASSCF #NEVPT2 #EMAC #triferrous #M3dpa4X2 #JahnTeller
Glad to host @CompCatLab (Prof. Bhaskar Mondal). His lecture on “Electronic structure and reactivity of metal nitrenoid species” was truly enlightening. #CASSCF #Electronic structure #Open shell systems #Bioinspired catalysis.@cicg_group @CHYIITH @IITHyderabad @SaurabhKS88
“Combining CASSCF with MBE-FCI to treat large active spaces” • Ivan Giannì presenting at the “European Summerschool in Quantum Chemistry” #esqc24 #moleconews #casscf #theoreticalchemistry #compchem #summerschool #molecolab
cantik dan ganteng2 *mupeng "@EunHyeINAFC: #CassCF. (7) twitpic.com/98flc1"
envy di kelilingi namja2 ganteng "@EunHyeINAFC: #CassCF (1) twitpic.com/98fjjc"
so romantic couple "@EunHyeINAFC: #CassCF. (4) twitpic.com/98fkef"
So lucky girl *ngiri "@EunHyeINAFC: #CassCF. (3) twitpic.com/98fk2r"
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