화학공학소재연구정보센터
검색결과 : 65건
No. Article
1 Chemical Bonding and Bonding Models of Main-Group Compounds
Zhao LL, Pan S, Holzmann N, Schwerdtfeger P, Frenking G
Chemical Reviews, 119(14), 8781, 2019
2 Solid Oganesson via a Many-Body Interaction Expansion Based on Relativistic Coupled-Cluster Theory and from Plane-Wave Relativistic Density Functional Theory
Jerabek P, Smits OR, Mewes JM, Peterson KA, Schwerdtfeger P
Journal of Physical Chemistry A, 123(19), 4201, 2019
3 Solid Oganesson via a Many-Body Interaction Expansion Based on Relativistic Coupled-Cluster Theory and from Plane-Wave Relativistic Density Functional Theory (vol 123, pg 4201, 2019)
Jerabek P, Smits OR, Mewes JM, Peterson KA, Schwerdtfeger P
Journal of Physical Chemistry A, 123(38), 8333, 2019
4 Influence of Relativistic Effects on Bonding Modes in M(II) Dinuclear Complexes (M = Au, Ag, and Cu)
Jerabek P, von der Esch B, Schmidbaur H, Schwerdtfeger P
Inorganic Chemistry, 56(23), 14624, 2017
5 Relativistic and Solvation Effects on the Stability of Gold(III) Halides in Aqueous Solution
Theilacker K, Schlegel HB, Kaupp M, Schwerdtfeger P
Inorganic Chemistry, 54(20), 9869, 2015
6 Metal Atom Dynamics in Superbulky Metallocenes: A Comparison of (Cp-BIG)(2)Sn and (Cp-BIG)(2)Eu
Harder S, Naglav D, Schwerdtfeger P, Nowik I, Herber RH
Inorganic Chemistry, 53(4), 2188, 2014
7 Can an Ab Initio Three-Body Virial Equation Describe the Mercury Gas Phase?
Wiebke J, Wormit M, Hellmann R, Pahl E, Schwerdtfeger P
Journal of Physical Chemistry B, 118(12), 3392, 2014
8 The Predicted Spectrum and Singlet-Triplet Interaction of the Hypermetallic Molecule SrOSr
Ostojic B, Jensen P, Schwerdtfeger P, Bunker PR
Journal of Physical Chemistry A, 117(39), 9370, 2013
9 Stability of Gas-Phase Tartaric Acid Anions Investigated by Quantum Chemistry, Mass Spectrometry, and Infrared Spectroscopy
Tonner R, Schwerdtfeger P, May AL, Steill JD, Berden G, Oomens J, Campagna SR, Compton RN
Journal of Physical Chemistry A, 116(19), 4789, 2012
10 An atomistic fourth-order virial equation of state for Argon from first principles calculations
Wiebke J, Schwerdtfeger P, Moyano GE, Pahl E
Chemical Physics Letters, 514(1-3), 164, 2011