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B

Bernhard R. Randolf

University of Innsbruck

29H指数
103论文数
2.5K被引数
收录论文 21
发表时间
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A QMCF-MD Investigation of the Structure and Dynamics of Ce4+ in Aqueous Solution
errINORGANIC CHEMISTRY
IF4.7
err2012-05-31
err23
PREAI
errLutz, Oliver M. D.; Hofer, Thomas S.; Randolf, Bernhard R.; Weiss, Alexander K. H.; Rode, Bernd M.
err分享
err收藏
Combining a Dissociative Water Model with a Hybrid QM/MM Approach-A Simulation Strategy for the Study of Proton Transfer Reactions in Solution
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2012-03-30
err38
errOAAI
errHofer, Thomas S.; Hitzenberger, Manuel; Randolf, Bernhard R.
err分享
err收藏
Sulfur Dioxide in Water: Structure and Dynamics Studied by an Ab Initio Quantum Mechanical Charge Field Molecular Dynamics Simulation
errINORGANIC CHEMISTRY
IF4.7
err2011-03-18
err18
PREAI
errMoin, Syed Tarique; Lim, Len Herald V.; Hofer, Thomas S.; Randolf, Bernhard R.; Rode, Bernd M.
err分享
err收藏
Structure and Dynamics of Methanol in Water: A Quantum Mechanical Charge Field Molecular Dynamics Study
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2010-10-14
err9
errOAAI
errMoin, Syed Tarique; Hofer, Thomas S.; Randolf, Bernhard R.; Rode, Bernd M.
err分享
err收藏
Structure and Dynamics of the Chromate Ion in Aqueous Solution. An ab Initio QMCF-MD Simulation
errINORGANIC CHEMISTRY
IF4.7
err2010-08-12
err14
PREAI
errHinteregger, Ernst; Pribil, Andreas B.; Hofer, Thomas S.; Randolf, Bernhard R.; Weiss, Alexander K. H.; Rode, Bernd M.
err分享
err收藏
A Quantum Mechanical Charge Field Molecular Dynamics Study of Fe2+ and Fe3+ Ions in Aqueous Solutions
errINORGANIC CHEMISTRY
IF4.7
err2010-05-04
err47
PREAI
errMoin, Syed Tarique; Hofer, Thomas S.; Pribil, Andreas B.; Randolf, Bernhard R.; Rode, Bernd M.
err分享
err收藏
Structural and Dynamical Aspects of the Unsymmetric Hydration of Sb(III): An ab initio Quantum Mechanical Charge Field Molecular Dynamics Simulation
errINORGANIC CHEMISTRY
IF4.7
err2010-02-02
err4
PREAI
errLim, Len Herald V.; Bhattacharjee, Anirban; Asam, S. Sikander; Hofer, Thomas S.; Randolf, Bernhard R.; Rode, Bernd M.
err分享
err收藏
Temperature Dependence of Structure and Dynamics of the Hydrated Ca2+ Ion According to ab initio Quantum Mechanical Charge Field and Classical Molecular Dynamics
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2009-10-21
err13
errOAAI
errLim, Len Herald V.; Prebil, Andreas B.; Ellmerer, Andreas E.; Randolf, Bernhard R.; Rode, Bernd M.
err分享
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Hydrated Germanium (II): Irregular Structural and Dynamical Properties Revealed by a Quantum Mechanical Charge Field Molecular Dynamics Study水合锗 (II): 量子力学电荷场分子动力学研究揭示的不规则结构和动力学性质
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2009-05-28
err6
PREAI
errAzam, S. Sikander; Lim, Len Herald V.; Hofer, Thomas S.; Randolf, Bernhard R.; Rode, Bernd M.
err分享
err收藏
Structure and Dynamics of the U4+ Ion in Aqueous Solution: An ab Initio Quantum Mechanical Charge Field Molecular Dynamics Study
errINORGANIC CHEMISTRY
IF4.7
err2009-04-01
err52
PREAI
errFrick, Robert J.; Pribil, Andreas B.; Hofer, Thomas S.; Randolf, Bernhard R.; Bhattacharjee, Anirban; Rode, Bernd M.
err分享
err收藏
The hydrated platinum(II) ion in aqueous solution-a combined theoretical and EXAFS spectroscopic study
errDALTON TRANSACTIONS
IF3.3
err2009-01-01
err27
PREAI
errHofer, Thomas S.; Randolf, Bernhard R.; Rode, Bernd M.; Persson, Ingmar
err分享
err收藏
Structure and dynamics of phosphate ion in aqueous solution:: An ab initio QMCF MD study水溶液中磷酸根离子的结构和动力学: 从头算QMCF MD研究
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2008-08-26
err73
PREAI
errPribil, Andreas B.; Hofer, Thomas S.; Randolf, Bernhard R.; Rode, Bernd M.
err分享
err收藏
Quantum mechanical charge field molecular dynamics simulation of the TiO2+ ion in aqueous solution水溶液中TiO2离子的量子力学电荷场分子动力学模拟
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2007-03-06
err24
PREAI
errFatmi, M. Qaiser; Hofer, Thomas S.; Randolf, Bernhard R.; Rode, Bernd M.
err分享
err收藏
Quantum mechanical/molecular mechanical simulations of the T1(III) ion in water水中T1(III) 离子的量子力学/分子力学模拟
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2007-02-05
err6
PREAI
errVchirawongkwin, Viwat; Hofer, Thomas S.; Randolf, Bernhard R.; Rode, Bernd M.
err分享
err收藏
Tl(I) - The strongest structure-breaking metal ion in water? A quantum mechanical/molecular mechanical simulation studyTl(I) -水中最强的结构破坏金属离子？量子力学/分子力学模拟研究
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2007-01-31
err19
PREAI
errVchirawongkwin, Viwat; Hofer, Thomas S.; Randolf, Bernhard R.; Rode, Bernd M.
err分享
err收藏
Hydrogen bonding in liquid water: An ab initio QM/MM MD simulation study液态水中的氢键: 从头算QM/MM MD模拟研究
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2006-01-01
err62
PREAI
errXenides, D; Randolf, BR; Rode, BM
err分享
err收藏
Coordination and ligand exchange dynamics of solvated metal ions
errCOORDINATION CHEMISTRY REVIEWS
IF23.5
err2005-12-01
err172
PREAI
errRode, BM; Schwenk, CF; Hofer, TS; Randolf, BR
err分享
err收藏
Structure and dynamics of solvated Sn(II) in aqueous solution: An ab initio QM/MM MD approach
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2005-09-22
err51
PREAI
errHofer, TS; Pribil, AB; Randolf, BR; Rode, BM
err分享
err收藏
An extended ab initio QM/MM MD approach to structure and dynamics of Zn(II) in aqueous solution -: art. no. 054514
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2005-08-10
err71
PREAI
errFatmi, MQ; Hofer, TS; Randolf, BR; Rode, BM
err分享
err收藏
Structure and ultrafast dynamics of liquid water: A quantum mechanics/molecular mechanics molecular dynamics simulations study
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2005-05-03
err117
PREAI
errXenides, D; Randolf, BR; Rode, BM
err分享
err收藏

研究方向

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合作学者
合作期刊
I
Ingmar Persson
H 指数: 56 · 论文数: 422
B
Bernd M. Rode
H 指数: 55 · 论文数: 626
T
Thomas S. Hofer
H 指数: 37 · 论文数: 314
S
Syed Sikander Azam
H 指数: 32 · 论文数: 145
M
M. Fatmi
H 指数: 25 · 论文数: 178
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