화학공학소재연구정보센터
검색결과 : 12건
No. Article
1 A Springloaded Metal-Ligand Mesocate Allows Access to Trapped Intermediates of Self-Assembly
Bogie PM, Holloway LR, Lyon Y, Onishi NC, Beran GJO, Julian RR, Hooley RJ
Inorganic Chemistry, 57(7), 4155, 2018
2 Small Structural Variations Have Large Effects on the Assembly Properties and Spin State of Room Temperature High Spin Fe(II) Inninopyridine Cages
Miller TF, Holloway LR, Nye PP, Lyon Y, Beran GJO, Harman WH, Julian RR, Hooley RJ
Inorganic Chemistry, 57(21), 13386, 2018
3 Designed and then realized
Beran GJO
Nature Materials, 16(6), 602, 2017
4 Modeling Polymorphic Molecular Crystals with Electronic Structure Theory
Beran GJO
Chemical Reviews, 116(9), 5567, 2016
5 Dipole-Mediated Rectification of Intramolecular Photoinduced Charge Separation and Charge Recombination
Bao DD, Upadhyayula S, Larsen JM, Xia B, Georgieva B, Nunez V, Espinoza EM, Hartman JD, Wurch M, Chang AD, Lin CK, Larkin J, Vasquez K, Beran GJO, Vullev VI
Journal of the American Chemical Society, 136(37), 12966, 2014
6 Toward a comprehensive model of the synthesis of TiO2 particles from TiCl4
West RH, Celnik MS, Inderwildi OR, Kraft M, Beran GJO, Green WH
Industrial & Engineering Chemistry Research, 46(19), 6147, 2007
7 First-principles thermochemistry for the production of TiO2 from TiCl4
West RH, Beran GJO, Green WH, Kraft M
Journal of Physical Chemistry A, 111(18), 3560, 2007
8 Nitrogen activation via three-coordinate molybdenum complexes: Comparison of density functional theory performance with wave function based methods
Graham DC, Beran GJO, Head-Gordon M, Christian G, Stranger R, Yates BF
Journal of Physical Chemistry A, 109(30), 6762, 2005
9 Search for stratospheric bromine reservoir species: Theoretical study of the photostability of mono-, tri-, and pentacoordinated bromine compounds
Lee TJ, Mejia CN, Beran GJO, Head-Gordon M
Journal of Physical Chemistry A, 109(36), 8133, 2005
10 Unrestricted perfect pairing: The simplest wave-function-based model chemistry beyond mean field
Beran GJO, Austin B, Sodt A, Head-Gordon M
Journal of Physical Chemistry A, 109(40), 9183, 2005