화학공학소재연구정보센터
검색결과 : 23건
No. Article
1 Understanding Trends in Molecular Bond Angles
Linker GJ, van Duijnen PT, Broer R
Journal of Physical Chemistry A, 124(7), 1306, 2020
2 Structure and stability of complexes of agmatine with some functional receptor residues of proteins
Remko M, Broer R, Remkova A, Van Duijnen PT
Chemical Physics Letters, 673, 44, 2017
3 How strong are Ca2+-heparin and Zn2+-heparin interactions?
Remko M, Broer R, Remkova A, Van Duijnen PT
Chemical Physics Letters, 621, 12, 2015
4 Acidity and metal (Mg2+, Ca2+, Zn2+) affinity of L-gamma-carboxyglutamic acid and its peptide analog
Remko M, Broer R, Remkova A, Van Duijnen PT
Chemical Physics Letters, 614, 214, 2014
5 The behaviour of charge distributions in dielectric media
van Duijnen PT, de Gier HD, Broer R, Havenith RWA
Chemical Physics Letters, 615, 83, 2014
6 How acidic are monomeric structural units of heparin?
Remko M, Broer R, Van Duijnen PT
Chemical Physics Letters, 590, 187, 2013
7 Off-Planar Geometry and Structural Instability of EDO-TTF Explained by Using the Extended Debye Polarizability Model for Bond Angles
Linker GJ, van Duijnen PT, van Loosdrecht PHM, Broer R
Journal of Physical Chemistry A, 116(26), 7219, 2012
8 Explicit solvent DRF INDOs/CIS computations of charge transfer state energetics in a pyrenyldeoxyuridine nucleoside model
Van Duijnen PT, Netzel TL
Journal of Physical Chemistry A, 110(6), 2204, 2006
9 QM/MM study of the role of the solvent in the formation of the charge separated excited state in 9,9'-bianthryl
Grozema FC, Swart M, Zijlstra RWJ, Piet JJ, Siebbeles LDA, van Duijnen PT
Journal of the American Chemical Society, 127(31), 11019, 2005
10 Electronic structure of thienylene vinylene oligomers: Singlet excited states, triplet excited states, cations, and dications
Grozema FC, van Duijnen PT, Siebbeles LDA, Goossens A, de Leeuw SW
Journal of Physical Chemistry B, 108(41), 16139, 2004