화학공학소재연구정보센터
검색결과 : 29건
No. Article
1 BAC-MP4 predictions of thermochemistry for gas-phase indium compounds in the In-H-C-O-Cl system
Skulan AJ, Nielsen IMB, Melius CF, Allendorf MD
Journal of Physical Chemistry A, 110(1), 281, 2006
2 BAC-MP4 predictions of thermochemistry for gas-phase antimony compounds in the Sb-H-C-O-Cl system
Skulan AJ, Nielsen IMB, Melius CF, Allendorf MD
Journal of Physical Chemistry A, 110(17), 5919, 2006
3 Flame inhibition by phosphorus-containing compounds over a range of equivalence ratios
Jayaweera TM, Melius CF, Pitz WJ, Westbrook CK, Korobeinichev OP, Shvartsberg VM, Shmakov AG, Rybitskaya IV, Curran HJ
Combustion and Flame, 140(1-2), 103, 2005
4 Bond additivity corrections for G3B3 and G3MP2B3 quantum chemistry methods
Anantharaman B, Melius CF
Journal of Physical Chemistry A, 109(8), 1734, 2005
5 BAC-MP4 predictions of thermochemistry for gas-phase tin compounds in the Sn-H-C-Cl system
Allendorf MD, Melius CF
Journal of Physical Chemistry A, 109(22), 4939, 2005
6 BAC-G2 predictions of thermochemistry for gas-phase aluminum compounds
Allendorf MD, Melius CF, Cosic B, Fontijn A
Journal of Physical Chemistry A, 106(11), 2629, 2002
7 BAC-MP4 predictions of thermochemistry for gas-phase compounds in the Si-H-O-Cl system
Allendorf MD, Melius CF
Journal of Physical Chemistry A, 106(26), 6370, 2002
8 Decomposition of HMX at extreme conditions: A molecular dynamics simulation
Manaa MR, Fried LE, Melius CF, Elstner M, Frauenheim T
Journal of Physical Chemistry A, 106(39), 9024, 2002
9 Bond additivity corrections for quantum chemistry methods
Melius CF, Allendorf MD
Journal of Physical Chemistry A, 104(11), 2168, 2000
10 Gallium compounds, a possible problem for the G2 approaches
Bauschlicher CW, Melius CF, Allendorf MD
Journal of Chemical Physics, 110(4), 1879, 1999