화학공학소재연구정보센터
검색결과 : 11건
No. Article
1 Characterization of the Weak SS Bonds in the OSSSO and O2SSSO2 Molecules
Chesnut DB, Bartolotti LJ, Harcourt RD
Journal of Physical Chemistry A, 113(30), 8677, 2009
2 A theoretical study of P-31 NMR chemical shielding models for concentrated phosphoric acid solution
Chesnut DB
Journal of Physical Chemistry A, 109(51), 11962, 2005
3 Scaled DFT chemical shieldings
Chesnut DB
Chemical Physics Letters, 380(3-4), 251, 2003
4 Atoms-in-molecules and electron localization function study of the phosphoryl bond
Chesnut DB
Journal of Physical Chemistry A, 107(21), 4307, 2003
5 Structures, energies, and NMR shieldings of some small water clusters on the counterpoise corrected potential energy surface
Chesnut DB
Journal of Physical Chemistry A, 106(29), 6876, 2002
6 An electron localization function study of the lone pair
Chesnut DB
Journal of Physical Chemistry A, 104(49), 11644, 2000
7 The electron localization function signature of the amide bond exhibits nitrogen lone pair character
Chesnut DB
Journal of Physical Chemistry A, 104(32), 7635, 2000
8 The electron localization function (ELF) description of the PO bond in phosphine oxide
Chesnut DB, Savin A
Journal of the American Chemical Society, 121(10), 2335, 1999
9 An ab initio nuclear magnetic resonance and atoms-in-molecules study of the PO bond in phosphine oxides
Chesnut DB
Journal of the American Chemical Society, 120(40), 10504, 1998
10 Model-Calculations of the C-13 NMR Shieldings in the Crystalline Cyclic Pentamer of Poly(P-Phenylene Sulfide)
Tonelli AE, Chesnut DB
Macromolecules, 29(7), 2537, 1996