IBL Tool - Digital Library

Digital Library

Journal description

All volumes of the corresponding journal

All issues of the corresponding volume

All articles of the corresponding issues

10 results found

no	title	author	magazine	year	volume	issue	page(s)	type
1	Ab initio molecular dynamics simulation of infrared absorption spectra of crystalline sulfuric acid mono- and tetra-hydrates	Yamaguchi, Makoto		2016	1089	C	p. 54-58 5 p.	article
2	Ab initio multi-reference perturbation theory calculations of the ground and low-lying electronic states of the KRb molecule	Shundalau, M.B.		2016	1089	C	p. 35-42 8 p.	article
3	A quantum biochemistry model of the interaction between the estrogen receptor and the two antagonists used in breast cancer treatment	Mota, K.B.		2016	1089	C	p. 21-27 7 p.	article
4	Computational studies of hole/electron transport in positional isomers of linear oligo-thienoacenes: Evaluation of internal reorganization energies using density functional theory	Thomas, Anup		2016	1089	C	p. 59-67 9 p.	article
5	Editorial Board			2016	1089	C	p. IFC- 1 p.	article
6	Hydrogen transfer between dimethyl ether and the methoxy radical: Understanding and kinetic modeling with anharmonic torsions	Guan, Yulei		2016	1089	C	p. 43-53 11 p.	article
7	Ionization dynamics of the branched water cluster: A long-lived non-proton-transferred intermediate	Tachikawa, Hiroto		2016	1089	C	p. 13-20 8 p.	article
8	Structure and Frontier Molecular Orbital (FMO) energies of α-Keggin-type polyoxometalate [PW12O40]3−: A systematical study with different functionals of density functional theory	Wu, Han-Ni		2016	1089	C	p. 28-34 7 p.	article
9	Theoretical characterization on photovoltaic properties of PC61BM-PTDPPTFT4 system with a molecular model	Zhao, Caibin		2016	1089	C	p. 6-12 7 p.	article
10	The potential energy surface of OH anion reaction with CH3OOH: Theoretical investigations	Yang, Li		2016	1089	C	p. 1-5 5 p.	article

10 results found

Koninklijke Bibliotheek - National Library of the Netherlands