화학공학소재연구정보센터
검색결과 : 7건
No. Article
1 DNA Polymerase lambda Active Site Favors a Mutagenic Mispair between the Enol Form of Deoxyguanosine Triphosphate Substrate and the Keto Form of Thymidine Template: A Free Energy Perturbation Study
Maximoff SN, Kamerlin SCL, Florian J
Journal of Physical Chemistry B, 121(33), 7813, 2017
2 Selective Binding of O-2 over N-2 in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites
Bloch ED, Murray LJ, Queen WL, Chavan S, Maximoff SN, Bigi JP, Krishna R, Peterson VK, Grandjean F, Long GJ, Smit B, Bordiga S, Brown CM, Long JR
Journal of the American Chemical Society, 133(37), 14814, 2011
3 Nuclear magnetic resonance shielding tensors calculated with kinetic energy density-dependent exchange-correlation functionals
Maximoff SN, Scuseria GE
Chemical Physics Letters, 390(4-6), 408, 2004
4 Current-dependent extension of the Perdew-Burke-Ernzerhof exchange-correlation functional
Maximoff SN, Ernzerhof M, Scuseria GE
Journal of Chemical Physics, 120(5), 2105, 2004
5 Functionals of quantities other than the electron density: Approximations to the exchange energy
Ernzerhof M, Maximoff SN, Scuseria GE
Journal of Chemical Physics, 116(10), 3980, 2002
6 Functionals of the square kinetic energy density
Maximoff SN, Ernzerhof M, Scuseria GE
Journal of Chemical Physics, 117(7), 3074, 2002
7 Exchange energy functionals based on the full fourth-order density matrix expansion
Maximoff SN, Scuseria GE
Journal of Chemical Physics, 114(24), 10591, 2001