화학공학소재연구정보센터
검색결과 : 76건
No. Article
1 Enthalpy of Formation of C2H2O4 (Oxalic Acid) from High-Level Calculations and the Active Thermochemical Tables Approach
Feller D, Bross DH, Ruscic B
Journal of Physical Chemistry A, 123(16), 3481, 2019
2 Density Functional Theory and the Basis Set Truncation Problem with Correlation Consistent Basis Sets: Elephant in the Room or Mouse in the Closet?
Feller D, Dixon DA
Journal of Physical Chemistry A, 122(9), 2598, 2018
3 Enthalpy of Formation of N2H4 (Hydrazine) Revisited
Feller D, Bross DH, Ruscic B
Journal of Physical Chemistry A, 121(32), 6187, 2017
4 Statistical Electronic Structure Calibration Study of the CCSD(T*)-F12b Method for Atomization Energies
Feller D
Journal of Physical Chemistry A, 119(28), 7375, 2015
5 Heats of Formation of MHxCly (M = Si, P, As, Sb) Compounds and Main Group Fluorides from High Level Electronic Structure Calculations (vol 116, pg 3717, 2012)
Vasiliu M, Grant DJ, Feller D, Dixon DA
Journal of Physical Chemistry A, 118(29), 5571, 2014
6 Heats of Formation of MHxCly (M = Si, P, As, Sb) Compounds and Main Group Fluorides from High Level Electronic Structure Calculations
Vasiliu M, Grant DJ, Feller D, Dixon DA
Journal of Physical Chemistry A, 116(14), 3717, 2012
7 High-Level ab Initio Enthalpies of Formation of 2,5-Dimethylfuran, 2-Methylfuran, and Furan
Feller D, Simmie JM
Journal of Physical Chemistry A, 116(47), 11768, 2012
8 Ab Initio Coupled Cluster Determination of the Equilibrium Structures of cis- and trans-1,2-Difluoroethylene and 1,1-Difluoroethylene
Feller D, Craig NC, Groner P, McKean DC
Journal of Physical Chemistry A, 115(1), 94, 2011
9 Ab Initio Coupled Cluster Determination of the Heats of Formation of C2H2F2, C2F2, and C2F4
Feller D, Peterson KA, Dixon DA
Journal of Physical Chemistry A, 115(8), 1440, 2011
10 Ab Initio Coupled Cluster Determination of the Heats of Formation of C2H2F2, C2F2, and C2F4 (vol 115, pg 1440, 2011)
Feller D, Peterson KA, Dixon DA
Journal of Physical Chemistry A, 115(14), 3182, 2011