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Biovia
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95
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71
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(71)
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Publication Date
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Multiscale modeling of reactive flow in heterogeneous porous microstructures
HYDROMETALLURGY
IF
5.3
2024-10-01
0
PRE
AI
Paspureddi, Akhilesh; Salazar-Tio, Rafael; Balasubramanian, Ganapathi Raman; Chatterjee, Abhijit; Crouse, Bernd
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High-pressure synthesis of acentric sodium pyrocarbonate, Na2[C2O5]
DALTON TRANSACTIONS
IF
3.3
2024-01-01
9
OA
AI
Spahr, Dominik; Bayarjargal, Lkhamsuren; Bykov, Maxim; Bruening, Lukas; Reuter, Tim H.; Milman, Victor; Liermann, Hanns-Peter; Winkler, Bjoern
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Crystal structure simulation of cationic cholesteric Liquid-Crystal polyesters. Non-Viral vectors
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
IF
4.6
2024-01-01
0
PRE
AI
Mendez, Mercedes Perez; Meunier, Marc; Alcaniz, Jose Fayos
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Ab initio study of lithium intercalation into a graphite nanoparticle
MATERIALS ADVANCES
IF
4.7
2022-01-01
5
OA
AI
Holland, Julian; Bhandari, Arihant; Kramer, Denis; Milman, Victor; Hanke, Felix; Skylaris, Chris-Kriton
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r2SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applications
JOURNAL OF CHEMICAL PHYSICS
IF
3.1
2021-02-09
108
OA
AI
Ehlert, Sebastian; Huniar, Uwe; Ning, Jinliang; Furness, James W.; Sun, Jianwei; Kaplan, Aaron D.; Perdew, John P.; Brandenburg, Jan Gerit
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Asc-1 Transporter (SLC7A10): Homology Models And Molecular Dynamics Insights Into The First Steps Of The Transport Mechanism
SCIENTIFIC REPORTS
IF
3.9
2020-02-28
18
OA
AI
Mikou, Afaf; Cabaye, Alexandre; Goupil, Anne; Bertrand, Hugues-Olivier; Mothet, Jean-Pierre; Acher, Francine C.
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Mobility and adsorption of liquid organic hydrogen carriers (LOHCs) in soils - environmental hazard perspective
GREEN CHEMISTRY
IF
9.2
2020-01-01
7
OA
AI
Zhang, Ya-Qi; Stolte, Stefan; Alptekin, Gizem; Rother, Alica; Diedenhofen, Michael; Filser, Juliane; Markiewicz, Marta
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COSMO-RS based predictions for the SAMPL6 logP challenge
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF
3.1
2019-11-26
31
PRE
AI
Loschen, Christoph; Reinisch, Jens; Klamt, Andreas
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Template-Based Method for Conformation Generation and Scoring for Congeneric Series of Ligands
JOURNAL OF CHEMICAL INFORMATION AND MODELING
IF
5.3
2019-05-02
2
PRE
AI
Raman, E. Prabhu
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A pH-Dependent Computational Approach to the Effect of Mutations on Protein Stability
JOURNAL OF COMPUTATIONAL CHEMISTRY
IF
4.8
2016-09-16
18
PRE
AI
Spassov, Velin Z.; Yan, Lisa
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Characterization of Bi and Fe co-doped PZT capacitors for FeRAM
SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS
IF
6.9
2016-01-12
24
OA
AI
Cross, Jeffrey S.; Kim, Seung-Hyun; Wada, Satoshi; Chatterjee, Abhijit
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The ELF Honest Data Broker: informatics enabling public-private collaboration in a precompetitive arena
DRUG DISCOVERY TODAY
IF
7.5
2016-01-01
18
OA
AI
Paillard, Guillaume; Cochrane, Philip; Jones, Philip S.; van Hoorn, Willem P.; Caracoti, Andrei; van Vlijmen, Herman; Pannifer, Andrew D.
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Delicate Distinction between OH Groups on Proton-Exchanged H-Chabazite and H-SAPO-34 Molecular Sieves
JOURNAL OF PHYSICAL CHEMISTRY C
IF
3.2
2015-10-07
24
PRE
AI
Halasz, Istvan; Moden, Bjorn; Petushkov, Anton; Liang, Jian-Jie; Agarwal, Mukesh
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High-pressure phases of SF6 up to 32 GPa from X-ray diffraction and Raman spectroscopy
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
IF
4.9
2015-05-01
3
OA
AI
Rademacher, N.; Friedrich, A.; Morgenroth, W.; Bayarjargal, L.; Milman, V.; Winkler, B.
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Study of the reaction products of SF6 and C in the laser heated diamond anvil cell by pair distribution function analysis and micro-Raman spectroscopy
JOURNAL OF SOLID STATE CHEMISTRY
IF
3.5
2015-05-01
3
OA
AI
Rademacher, N.; Bayarjargal, L.; Morgenroth, W.; Bauer, J. D.; Milman, V.; Winkler, B.
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Further Search for Hydroxyl Nests in Acid Dealuminated Zeolite Y
JOURNAL OF PHYSICAL CHEMISTRY C
IF
3.2
2015-04-07
20
PRE
AI
Halasz, Istvan; Senderov, Eric; Olson, David H.; Liang, Jian-Jie
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Rhodium-mediated hydrogenolysis/hydrolysis of the aryl ether bond in supercritical carbon dioxide/water: an experimental and theoretical approach
CATALYSIS SCIENCE & TECHNOLOGY
IF
4.2
2015-01-01
49
PRE
AI
Chatterjee, Maya; Chatterjee, Abhijit; Ishizaka, Takayuki; Kawanami, Hajime
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High-Throughput Investigation of the Geometry and Electronic Structures of Gas-Phase and Crystalline Polycyclic Aromatic Hydrocarbons
JOURNAL OF PHYSICAL CHEMISTRY C
IF
3.2
2014-08-18
23
PRE
AI
Schatschneider, Bohdan; Monaco, Stephen; Liang, Jian-Jie; Tkatchenko, Alexandre
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Predicting Drug Substances Autoxidation
PHARMACEUTICAL RESEARCH
IF
4.3
2014-08-13
111
PRE
AI
Lienard, P.; Gavartin, J.; Boccardi, G.; Meunier, M.
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Automated antibody structure prediction using Accelrys tools: Results and best practices
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
IF
2.8
2014-06-03
33
OA
AI
Fasnacht, Marc; Butenhof, Ken; Goupil-Lamy, Anne; Hernandez-Guzman, Francisco; Huang, Hongwei; Yan, Lisa
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