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	题名	作者	年代	出处	被引量
1	锕系计算化学进展显示文摘本文简要总结了过去十年中应用量子力学方法研究锕系化学的若干结果。我们将其大致归为几何与电子结构和化学反应两类。对于前者,简要总结了锕系元素化合物中的An—O键和金属—金属键;而后者则涉及水合反应和配体交换反应,歧化反应,氧化反应,铀酰离子的还原,氢胺化反应以及铀的叠氮化合物的光解反应等。	王东琪 Wilfred F. van Gunsteren	2011	化学进展2011，23，7：	11
2	Phycocyanin aggregation:A small angle neutron scattering and size exclusion chromatographic study显示文摘	Shi Y Y Yun R H Van Gunsteren W F	1988	J Mol Biol1988，200，：	1
3	Molecular dynamics with coupling to an external bath显示文摘	Berendsen H J C Postma J P M van Gunsteren W F	1984	Journal of Chemical Physics1984，81，8：	1
4	A Leap-frog Algorithm for Stochastic Dynamics显示文摘	W. F. Van Gunsteren H. J. C. Berendsen	1988	Molecular Simulation1988，，3：	1
5	On the approximation of solvent effects on conformation and dynamics of Cyclosporin:A by stochastic dynamics simulation techniques显示文摘	Shi Y Y Wang L Van Gunsteren W F	1988	Mol Simul1988，1，：	1
6	Molecular dynamics with coupling to an external bath显示文摘	Berendsen H J C Postma J P M van Gunsteren W F	1984	J Chem Phys1984，81，8：	1
7	Biomolecular modelling: goals, problems, perspectives 显示文摘	Van Gunsteren W F Bakowies D Baron R	2006	Angew Chem Int Ed Eng2006，45，：	1
8	Molecular dynamics with coupling to an external bath 显示文摘	Berendsen H J C Posrma J P M van Gunsteren W F	1984	The Journal of Chemical Physics1984，81，8：	1
9	Molecu?lar dynamics with coupling to an external bath显示文摘	Berendsen HJ C PostmaJ PM Gunsteren W F	1984	Journal of Chemistry Physics1984，81，8：	1
10	Molecular dynam- ics simulation of hen egg white lysozyme: a test of the GRO- MOS96 force field against nuclear magnetic resonance data 显示文摘	STOCKER U VAN GUNSTEREN W F	2000	Proteins2000，40，1：	1
11	Molecular dynamics with coupling to an external bath 显示文摘	Berendsen H J C Postma J P M van Gunsteren WF	1984	Journal of Chemical Physics1984，81，8：	1
12	Side chain conformational disorder in a molten globule: Molecular dynamics simulations of human alpha-lactalbumin 显示文摘	SMITH L J DOBSON C M VAN GUNSTEREN W F	1999	J Mol Biol1999，286，5：	1
13	A molecular dynamics study on the bee venom melittin in aqueous solution, in methanol, and inserted in a phospholipid bilayer 显示文摘	Glattli A Chandrasekhar I Gunsteren W F	2006	Eur Biophys J2006，35，3：	1
14	Molecular dynam- ics simulation of hen egg white lysozyme: a test of the GRO- MOS96 force field against nuclear magnetic resonance data 显示文摘	STOCKER U VAN GUNSTEREN W F	2000	Proteins2000，40，1：	1
15	Molecular dynamics with coupling to an external bath显示文摘	Berendsen H J C Postma J P M van Gunsteren W F	1984	J Chem Phys1984，81，：	1
16	Molecular dynamics with coupling to an external bath 显示文摘	Berendsen H C Postma J P M Gunsteren W F	1984	J Chem Phys1984，81，8：	1
17	Molecular dynamics with coupling to an external bath显示文摘	BERENDSEN H J C POSTMA J P M GUNSTEREN W F V	1984	Journal of Chemical Physics1984，81，：	1
18	Molecular dynamics with coupling to an external bath显示文摘	Berendsen H J C Postma J P M Van Gunsteren W F	1984	J Chem Phys1984，81，8：	1
19	Molecular dynamics simulations显示文摘	Hansson T Oostenbrink C Gunsteren van W	2002	Curt Opin Struc Biol2002，12，2：	1
20	Molecular dynamics simulation of hen egg white lysozyme: a test of the GROMOS96 force field against nuclear magnetic resonance data显示文摘	Stocker U van Gunsteren W F	2000	Proteins2000，40，1：	1

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