화학공학소재연구정보센터
검색결과 : 45건
No. Article
1 Interaction of metal phthalocyanines with carbon zigzag and armchair nanotubes with different diameters
Krasnov PO, Basova TV, Hassan A
Applied Surface Science, 457, 235, 2018
2 Experimental and theoretical studies on cis-dioxomolybdenum(VI) complexes of ONN-donor thiosemicarbazon
Ilhan Ceylan B, Yilmaz A, Bolukbasi Yalcinkaya O, Ulkuseven B
Turkish Journal of Chemistry, 42(5), 1285, 2018
3 Importance of the ligand basis set in ab initio thermochemical calculations of transition metal species
Plascencia C, Wang JQ, Wilson AK
Chemical Physics Letters, 685, 496, 2017
4 Predicting lattice energy and structure of molecular crystals by first-principles method: Role of dispersive interactions
Singh MK
Journal of Crystal Growth, 396, 14, 2014
5 Noncovalent interactions: A challenge for experiment and theory
Muller-Dethlefs K, Hobza P
Chemical Reviews, 100(1), 143, 2000
6 Theoretical study of urea and thiourea. 2. Chains and ribbons
Masunov A, Dannenberg JJ
Journal of Physical Chemistry B, 104(4), 806, 2000
7 Structure, energetics, and dynamics of the nucleic acid base pairs: Nonempirical ab initio calculations
Hobza P, Sponer J
Chemical Reviews, 99(11), 3247, 1999
8 Ab initio theoretical study of interactions in borazane molecule
Jagielska A, Moszynski R, Piela L
Journal of Chemical Physics, 110(2), 947, 1999
9 Highly accurate ab initio calculation of the interaction potential for two sodium atoms with parallel spins
Gutowski M
Journal of Chemical Physics, 110(10), 4695, 1999
10 Relation between cooperative effects in cyclic water, methanol/water, and methanol trimers and hydrogen bonds in methanol/water, ethanol/water, and dimethylether/water heterodimers
Masella M, Flament JP
Journal of Chemical Physics, 108(17), 7141, 1998