Biovia

学者数95

论文数71

被引数0

关联论文 (71)

发表时间

Multiscale modeling of reactive flow in heterogeneous porous microstructures 非均质多孔微结构中反应流的多尺度建模

HYDROMETALLURGY

IF5.3

2024-10-01

PREAI

Paspureddi, Akhilesh; Salazar-Tio, Rafael; Balasubramanian, Ganapathi Raman; Chatterjee, Abhijit; Crouse, Bernd

High-pressure synthesis of acentric sodium pyrocarbonate, Na2[C2O5]

DALTON TRANSACTIONS

IF3.3

2024-01-01

OAAI

Spahr, Dominik; Bayarjargal, Lkhamsuren; Bykov, Maxim; Bruening, Lukas; Reuter, Tim H.; Milman, Victor; Liermann, Hanns-Peter; Winkler, Bjoern

Crystal structure simulation of cationic cholesteric Liquid-Crystal polyesters. Non-Viral vectors

MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS

IF4.6

2024-01-01

PREAI

Mendez, Mercedes Perez; Meunier, Marc; Alcaniz, Jose Fayos

Ab initio study of lithium intercalation into a graphite nanoparticle

MATERIALS ADVANCES

IF4.7

2022-01-01

OAAI

Holland, Julian; Bhandari, Arihant; Kramer, Denis; Milman, Victor; Hanke, Felix; Skylaris, Chris-Kriton

r2SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applications

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2021-02-09

108

OAAI

Ehlert, Sebastian; Huniar, Uwe; Ning, Jinliang; Furness, James W.; Sun, Jianwei; Kaplan, Aaron D.; Perdew, John P.; Brandenburg, Jan Gerit

Asc-1 Transporter (SLC7A10): Homology Models And Molecular Dynamics Insights Into The First Steps Of The Transport Mechanism

SCIENTIFIC REPORTS

IF3.9

2020-02-28

OAAI

Mikou, Afaf; Cabaye, Alexandre; Goupil, Anne; Bertrand, Hugues-Olivier; Mothet, Jean-Pierre; Acher, Francine C.

Mobility and adsorption of liquid organic hydrogen carriers (LOHCs) in soils - environmental hazard perspective

GREEN CHEMISTRY

IF9.2

2020-01-01

OAAI

Zhang, Ya-Qi; Stolte, Stefan; Alptekin, Gizem; Rother, Alica; Diedenhofen, Michael; Filser, Juliane; Markiewicz, Marta

COSMO-RS based predictions for the SAMPL6 logP challenge

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2019-11-26

PREAI

Loschen, Christoph; Reinisch, Jens; Klamt, Andreas

Template-Based Method for Conformation Generation and Scoring for Congeneric Series of Ligands

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2019-05-02

PREAI

Raman, E. Prabhu

A pH-Dependent Computational Approach to the Effect of Mutations on Protein Stability 突变对蛋白质稳定性影响的pH依赖性计算方法

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2016-09-16

PREAI

Spassov, Velin Z.; Yan, Lisa

Characterization of Bi and Fe co-doped PZT capacitors for FeRAM

SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

IF6.9

2016-01-12

OAAI

Cross, Jeffrey S.; Kim, Seung-Hyun; Wada, Satoshi; Chatterjee, Abhijit

The ELF Honest Data Broker: informatics enabling public-private collaboration in a precompetitive arena

DRUG DISCOVERY TODAY

IF7.5

2016-01-01

OAAI

Paillard, Guillaume; Cochrane, Philip; Jones, Philip S.; van Hoorn, Willem P.; Caracoti, Andrei; van Vlijmen, Herman; Pannifer, Andrew D.

Delicate Distinction between OH Groups on Proton-Exchanged H-Chabazite and H-SAPO-34 Molecular Sieves

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2015-10-07

PREAI

Halasz, Istvan; Moden, Bjorn; Petushkov, Anton; Liang, Jian-Jie; Agarwal, Mukesh

High-pressure phases of SF6 up to 32 GPa from X-ray diffraction and Raman spectroscopy 来自x射线衍射和拉曼光谱的高达32 GPa的SF6高压相

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

IF4.9

2015-05-01

OAAI

Rademacher, N.; Friedrich, A.; Morgenroth, W.; Bayarjargal, L.; Milman, V.; Winkler, B.

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

IF3.5

2015-05-01

OAAI

Rademacher, N.; Bayarjargal, L.; Morgenroth, W.; Bauer, J. D.; Milman, V.; Winkler, B.

Further Search for Hydroxyl Nests in Acid Dealuminated Zeolite Y

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2015-04-07

PREAI

Halasz, Istvan; Senderov, Eric; Olson, David H.; Liang, Jian-Jie

Rhodium-mediated hydrogenolysis/hydrolysis of the aryl ether bond in supercritical carbon dioxide/water: an experimental and theoretical approach

CATALYSIS SCIENCE & TECHNOLOGY

IF4.2

2015-01-01

PREAI

Chatterjee, Maya; Chatterjee, Abhijit; Ishizaka, Takayuki; Kawanami, Hajime

High-Throughput Investigation of the Geometry and Electronic Structures of Gas-Phase and Crystalline Polycyclic Aromatic Hydrocarbons

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2014-08-18

PREAI

Schatschneider, Bohdan; Monaco, Stephen; Liang, Jian-Jie; Tkatchenko, Alexandre

Predicting Drug Substances Autoxidation

PHARMACEUTICAL RESEARCH

IF4.3

2014-08-13

111

PREAI

Lienard, P.; Gavartin, J.; Boccardi, G.; Meunier, M.

Automated antibody structure prediction using Accelrys tools: Results and best practices

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

IF2.8

2014-06-03

OAAI

Fasnacht, Marc; Butenhof, Ken; Goupil-Lamy, Anne; Hernandez-Guzman, Francisco; Huang, Hongwei; Yan, Lisa