Electronic structure of the S1 state in methylcobalamin: Insight from CASSCF/MC-XQDPT2, EOM-CCSD, and TD-DFT calculations
Kornobis, Karina, Kumar, Neeraj, Lodowski, Piotr, Jaworska, Maria, Piecuch, Piotr, Lutz, Jesse J., Wong, Bryan M., Kozlowski, Pawel M.
Published in Journal of computational chemistry (05.05.2013)
Published in Journal of computational chemistry (05.05.2013)
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Journal Article
Cob(I)alamin: Insight Into the Nature of Electronically Excited States Elucidated via Quantum Chemical Computations and Analysis of Absorption, CD and MCD Data
Kornobis, Karina, Ruud, Kenneth, Kozlowski, Pawel M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (07.02.2013)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (07.02.2013)
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Journal Article
Electronically Excited States of Vitamin B12: Benchmark Calculations Including Time-Dependent Density Functional Theory and Correlated ab Initio Methods
Kornobis, Karina, Kumar, Neeraj, Wong, Bryan M, Lodowski, Piotr, Jaworska, Maria, Andruniów, Tadeusz, Ruud, Kenneth, Kozlowski, Pawel M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.02.2011)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.02.2011)
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Journal Article
Electronic structure of the S^sub 1^ state in methylcobalamin: Insight from CASSCF/MC-XQDPT2, EOM-CCSD, and TD-DFT calculations
Kornobis, Karina, Kumar, Neeraj, Lodowski, Piotr, Jaworska, Maria, Piecuch, Piotr, Lutz, Jesse J, Wong, Bryan M, Kozlowski, Pawel M
Published in Journal of computational chemistry (05.05.2013)
Get full text
Published in Journal of computational chemistry (05.05.2013)
Journal Article
Electronic structure of the S 1 state in methylcobalamin: Insight from CASSCF/MC‐XQDPT2, EOM‐CCSD, and TD‐DFT calculations
Kornobis, Karina, Kumar, Neeraj, Lodowski, Piotr, Jaworska, Maria, Piecuch, Piotr, Lutz, Jesse J., Wong, Bryan M., Kozlowski, Pawel M.
Published in Journal of computational chemistry (05.05.2013)
Published in Journal of computational chemistry (05.05.2013)
Get full text
Journal Article
Electronically Excited States of Vitamin B 12 : Benchmark Calculations Including Time-Dependent Density Functional Theory and Correlated ab Initio Methods
Kornobis, Karina, Kumar, Neeraj, Wong, Bryan M., Lodowski, Piotr, Jaworska, Maria, Andruniów, Tadeusz, Ruud, Kenneth, Kozlowski, Pawel M.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.02.2011)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.02.2011)
Get full text
Journal Article
TD-DFT insight into photodissociation of the Co-C bond in coenzyme B12
Liu, Hui, Kornobis, Karina, Lodowski, Piotr, Jaworska, Maria, Kozlowski, Pawel M
Published in Frontiers in chemistry (01.01.2014)
Published in Frontiers in chemistry (01.01.2014)
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Journal Article
Electronically Excited States of Vitamin B12: Benchmark Calculations Including Time-Dependent Density Functional Theory and Correlated Ab Initio Methods
Kornobis, Karina, Kumar, Neeraj, Wong, Bryan M, Lodowski, Piotr, Jaworska, Maria, Andruniów, Tadeusz, Rudd, Kenneth, Kozlowski, Pawel M
Published in arXiv.org (18.03.2011)
Published in arXiv.org (18.03.2011)
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