화학공학소재연구정보센터
검색결과 : 101건
No. Article
1 Dibridged, Monobridged, Vinylidene-Like, and Linear Structures for the Alkaline Earth Dihydrides Be2H2, Mg2H2, Ca2H2, Sr2H2, and Ba2H2. Proposals for Observations
Narendrapurapu BS, Bowman MC, Xie YM, Schaefer HF, Tkachenko NV, Boldyrev AI, Li GL
Inorganic Chemistry, 59(15), 10404, 2020
2 Computationally Designed Crystal Structures of the Supertetrahedral Al4X (X = B, C, Al, Si) Solids
Getmanskii IV, Koval VV, Boldyrev AI, Minyaev RM, Minkin VI
Journal of Physical Chemistry A, 123(1), 267, 2019
3 Hydrated Sulfate Clusters SO42- (H2O)(n) (n=1-40): Charge Distribution Through Solvation Shells and Stabilization
Kulichenko M, Fedik N, Bozhenko KV, Boldyrev AI
Journal of Physical Chemistry B, 123(18), 4065, 2019
4 Tug-of-war between classical and multicenter bonds in H-(Be)(n)-H species
Lundell KA, Boldyrev AI
Chemical Physics Letters, 699, 85, 2018
5 Insight into The Nature of Rim Bonds in Coronene
Fedik N, Boldyrev AI
Journal of Physical Chemistry A, 122(43), 8585, 2018
6 B-26: The smallest planar boron cluster with a hexagonal vacancy and a complicated potential landscape
Luo XM, Jian T, Cheng LJ, Li WL, Chen Q, Li R, Zhai HJ, Li SD, Boldyrev AI, Li J, Wang LS
Chemical Physics Letters, 683, 336, 2017
7 Ba and Sr Binary Phosphides: Synthesis, Crystal Structures, and Bonding Analysis
Dolyniuk JA, He H, Ivanov AS, Boldyrev AI, Bobev S, Kovnir K
Inorganic Chemistry, 54(17), 8608, 2015
8 Anion Photoelectron Spectroscopy and CASSCF/CASPT2/RASSI Study of La-n(-) (n=1, 3-7)
Ivanov AS, Zhang X, Wang H, Boldyrev AI, Gantefoer G, Bowen KH, Cernusak I
Journal of Physical Chemistry A, 119(46), 11293, 2015
9 Two-Dimensional Cu2Si Monolayer with Planar Hexacoordinate Copper and Silicon Bonding
Yang LM, Bacic V, Popov IA, Boldyrev AI, Heine T, Frauenheim T, Ganz E
Journal of the American Chemical Society, 137(7), 2757, 2015
10 Stabilization of a Cl--Cl- Anion Pair in the Gas Phase: Ab Initio Microsolvation Study
Ivanov AS, Frenking G, Boldyrev AI
Journal of Physical Chemistry A, 118(35), 7375, 2014