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MP2
Publication
Class
Person
Publication
Programmes
publication
Pt-bridges in various single-strand and double-helix DNA sequences. DFT and MP2 study of the cisplatin coordination with guanine, adenine, and cytosine
2006 |
Faculty of Mathematics and Physics
publication
How strong can the bend be on a DNA helix from cisplatin? DFT and MP2 quantum chemical calculations of cisplatin-bridged DNA purine bases
2003 |
Publication without faculty affiliation
publication
Toward Laplace MP2 method using range separated Coulomb potential and orbital selective virtuals
2021 |
Central Library of Charles University
publication
Theoretical model of the interaction aqua-copper [Cu(H2O)5]+ cations with guanine. DFT and MP2 quantum chemical study
+1
2005 |
Faculty of Mathematics and Physics
publication
The (XH)2 Species (X=F through At) in the Groups of the Periodic System: MP2 and CCSD(T) Ab initio Quantum Chemical Calculations
1998 |
Faculty of Mathematics and Physics
publication
Accurate methods for the description of binding energies of molecular solids
2020 |
Faculty of Mathematics and Physics
publication
Structure, Energetics and Force Fields of the Cyclic Formamide Dimer:MP2, Hartree-Fock and Density Functional Study
1995 |
Publication without faculty affiliation
publication
Calculations of the Lu3N@C80 two-isomer equilibrium
2019 |
Faculty of Science
publication
Interaction of DNA Bases and Base Pairs with Various Metal Cations (Li+, Na+, K+, Rb+, Cs+, Mg2+, Ca2+, Sr2+, Ba2+, Cu+, Ag+, Au+, Zn2+, Cd2+ and Hg2+): ab initio MP2 Calculations and Nonadditivity of the Interaction
1997 |
Faculty of Mathematics and Physics
publication
Lattice energies of molecular solids from the random phase approximation with singles corrections
2016 |
Faculty of Mathematics and Physics
publication
Calculated relative populations for the Eu@C82 isomers
2019 |
Faculty of Science
publication
Eu@C86 isomers: Calculated relative populations
2020 |
Faculty of Science
publication
Calculations of the relative populations of Lu@C82 isomers
2019 |
Faculty of Science
publication
Novel material for second harmonic generation: 3-amino-1.2,4-triazolinium(1+) hydrogen L-tartrate
2007 |
Faculty of Science
publication
Excited electronic states and relative stabilities of C-80
2006 |
Faculty of Science
publication
Reaching high precision of binding energies in molecular solids using quantum chemistry methods
2021 |
Faculty of Mathematics and Physics
publication
Eu@C88 Isomers: Calculated Relative Populations
2022 |
Faculty of Science
publication
Efficient and accurate description of adsorption in zeolites
2019 |
Faculty of Mathematics and Physics
publication
Physical nature of silane...carbene dimers revealed by state-of-the-art ab initio calculations
2019 |
Faculty of Mathematics and Physics
publication
Accuracy of Quantum Chemical Methods for Large Noncovalent Complexes
2013 |
Faculty of Science
publication
Computed stabilization for a giant fullerene endohedral: Y2C2@C1(1660)-C108
2018 |
Faculty of Science
publication
Sc2O@C78: Calculations of the yield ratio for two observed isomers
2017 |
Faculty of Science
publication
Binding energies of molecular solids from fragment and periodic approaches
2021 |
Faculty of Mathematics and Physics
publication
A computational characterization of CO@C60
2017 |
Faculty of Science
publication
Exploration of various electronic properties along the reaction coordinate for hydration of Pt(II) and Ru(II) complexes; the CCSD, MPx, and DFT computational study
2013 |
Faculty of Mathematics and Physics
publication
A computational characterization of H2O2@C60
2022 |
Faculty of Science
publication
The influence of arene-ring size on stacking interaction with canonical base pairs
2014 |
Faculty of Mathematics and Physics
publication
Theoretical Aspects of Hydrolysis of Peptide Bonds by Zinc Metalloenzymes
2013 |
Faculty of Science
publication
Water-Dimer Stability and Its Fullerene Encapsulations
2015 |
Faculty of Science