共 50 条
- [1] Calculating conductivity of molecular wires using time dependent density functional theory. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 223 : C68 - C68
- [2] Energy density in density functional theory. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 223 : U470 - U470
- [3] Molecular modeling of biogenic manganese oxide by density functional theory. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2004, 227 : U1213 - U1213
- [4] Understanding chloroethene chemisorption to iron surfaces using molecular mechanics and density functional theory. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2004, 228 : U691 - U691
- [5] Calculation of molecular chiroptical properties using density functional theory ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2007, 233
- [6] Identifying promising catalytic materials using density functional theory. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 229 : U714 - U714
- [7] Natural variables in density functional theory. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1997, 213 : 252 - COMP
- [8] Excited states in density functional theory. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1999, 218 : U322 - U322
- [9] Challenges in density-functional theory. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1999, 218 : U384 - U384
- [10] Computation of chiroptical properties by time-dependent density functional theory. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2003, 225 : U445 - U445