화학공학소재연구정보센터
검색결과 : 147건
No. Article
1 Modeling of nucleobase/oligonucleotide interaction with graphene and graphene oxide: the role of charging and/or oxidizing the graphene surface
Karachevtsev MV, Stepanian SG, Adamowicz L, Karachevtsev VA
Molecular Crystals and Liquid Crystals, 697(1), 49, 2020
2 Modeling of nucleobase/oligonucleotide interaction with graphene and graphene oxide: the role of charging and/or oxidizing the graphene surface
Karachevtsev MV, Stepanian SG, Adamowicz L, Karachevtsev VA
Molecular Crystals and Liquid Crystals, 697(1), 49, 2020
3 Implementation of explicitly correlated complex Gaussian functions in calculations of molecular rovibrational J=1 states without Born-Oppenheimer approximation
Chavez EM, Bubin S, Adamowicz L
Chemical Physics Letters, 717, 147, 2019
4 Calculated relative populations for the Eu@C-82 isomers
Slanina Z, Uhlik F, Bao LP, Akasaka T, Lu X, Adamowicz L
Chemical Physics Letters, 726, 29, 2019
5 The S-2 Rydberg series of the lithium atom. Calculations with all-electron explicitly correlated Gaussian functions
Bralin A, Bubin S, Stanke M, Adamowicz L
Chemical Physics Letters, 730, 497, 2019
6 Cyclic water-trimer encapsulation into D-2(22)-C-84 fullerene
Slanina Z, Uhlik F, Nagase S, Akasaka T, Lu X, Adamowicz L
Chemical Physics Letters, 695, 245, 2018
7 Magnetic orbit-orbit interaction involving electrons and the nucleus orbiting around the center of mass in S-1 and P-1 Rydberg states of helium. Finite-nuclear-mass calculations with explicitly correlated Gaussian functions.
Stanke M, Adamowicz L
Chemical Physics Letters, 712, 66, 2018
8 Computed stabilization for a giant fullerene endohedral: Y2C2@C-1(1660)-C-108
Slanina Z, Uhlik F, Pan CW, Akasaka T, Lu X, Adamowicz L
Chemical Physics Letters, 710, 147, 2018
9 Non-Born-Oppenheimer calculations of the rovibrational spectrum of H-2 excited to the second rotational level
Jones K, Formanek M, Adamowicz L
Chemical Physics Letters, 669, 188, 2017
10 Explicitly-correlated non-born-oppenheimer calculations of the HD molecule in a strong magnetic field
Adamowicz L, Stanke M, Tellgren E, Helgaker T
Chemical Physics Letters, 682, 87, 2017