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ACS电子期刊(64)
在“
ACS电子期刊
”中,
命中:
64
条,耗时:小于0.01 秒
在所有数据库中总计命中:
81
条
1.
Automated Fragmentation Polarizable Embedding Density Functional Theory (PE-DFT) Calculations of Nuclear Magnetic Resonance (NMR) Shielding Constants of Proteins with Application to Chemical Shift Predictions
作者:
Casper Steinmann
;
Lars Andersen Bratholm
;
Jógvan Magnus Haugaard Olsen
;
Jacob
Kongsted
刊名:Journal of Chemical Theory and Computation
出版年:2017
2.
Computational Approach to Evaluation of Optical Properties of Membrane Probes
作者:
Lina J. NåboNanna Holmgaard List
;
Casper Steinmann
;
Jacob
Kongsted
刊名:Journal of Chemical Theory and Computation
出版年:2017
3.
Very Strong Binding for a Neutral Calix[4]pyrrole Receptor Displaying Positive Allosteric Binding
作者:
Troels Duedal
;
Kent A. Nielsen
;
Gunnar OlsenCharlotte B. G. Rasmussen
;
Jacob
Kongsted
;
Eric Levillain
;
Tony Breton
;
Eigo Miyazaki
;
Kazuo Takimiya
;
Steffen BähringJan O. Jeppesen
刊名:Journal of Organic Chemistry
出版年:2017
4.
Averaged Solvent Embedding Potential Parameters for Multiscale Modeling of Molecular Properties
作者:
Maarten T. P. Beerepoot
;
Arnfinn Hykkerud Steindal
;
Nanna Holmgaard List
;
Jacob
Kongsted
;
Jógvan Magnus Haugaard Olsen
刊名:Journal of Chemical Theory and Computation
出版年:2016
5.
Computational Approach for Studying Optical Properties of DNA Systems in Solution
作者:
Morten Steen Nørby
;
Casper Steinmann
;
Jógvan Magnus Haugaard Olsen
;
Hui Li
;
Jacob
Kongsted
刊名:Journal of Chemical Theory and Computation
出版年:2016
6.
Computational Analysis of Sterol Ligand Specificity of the Niemann Pick C2 Protein
作者:
Vasanthanathan Poongavanam
;
Jacob
Kongsted
;
Daniel Wüstner
刊名:Biochemistry
出版年:2016
7.
One- and Two-Photon Absorption of a Spiropyran鈥揗erocyanine System: Experimental and Theoretical Studies
作者:
Katarzyna Matczyszyn
;
Joanna Olesiak-Banska
;
Keitaro Nakatani
;
Pei Yu
;
N. Arul Murugan
;
Robert Zale艣ny
;
Agnieszka Roztoczy艅ska
;
Joanna Bednarska
;
Wojciech Bartkowiak
;
Jacob
Kongsted
;
Hans 脜gren
;
Marek Samo膰
刊名:Journal of Physical Chemistry B
出版年:2015
8.
Enhancement of Internal Motions of Lysozyme through Interaction with Gold Nanoclusters and its Optical Imaging
作者:
S. K. Mudedla
;
E. R. Azhagiya Singam
;
J. Vijay Sundar
;
Morten N. Pedersen
;
N. Arul Murugan
;
Jacob
Kongsted
;
Hans 脜gren
;
V. Subramanian
刊名:Journal of Physical Chemistry C
出版年:2015
9.
Electronic Energy Transfer in Polarizable Heterogeneous Environments: A Systematic Investigation of Different Quantum Chemical Approaches
作者:
Casper Steinmann
;
Jacob
Kongsted
刊名:Journal of Chemical Theory and Computation
出版年:2015
10.
Relation between Nonlinear Optical Properties of Push鈥揚ull Molecules and Metric of Charge Transfer Excitations
作者:
Nanna Holmgaard List
;
Robert Zale艣ny
;
N. Arul Murugan
;
Jacob
Kongsted
;
Wojciech Bartkowiak
;
Hans 脜gren
刊名:Journal of Chemical Theory and Computation
出版年:2015
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