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15 research outputs found
INFLUENCE OF CATION-HETEROATOM ( Li +
Author
ALIREZA FATTAHI
Bader R. F. W.
+3 more
Jeffrey G. A.
MEHDI SHAKOURIAN-FARD
Shakorian F. J. M.
Publication venue
'World Scientific Pub Co Pte Lt'
Publication date
Field of study
No full text
Crossref
Trends in Na-Ion Solvation with Alkyl-Carbonate Electrolytes for Sodium-Ion Batteries: Insights from First-Principles Calculations
Author
Bader R. F. W.
Ganesh Kamath
+5 more
Gordon M. S.
Hui Xiong
Kassiopeia Smith
Mehdi Shakourian-Fard
Subramanian K. R. S. Sankaranarayanan
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Trends in Physisorption of Ionic Liquids on Boron-Nitride Sheets
Author
Alem N.
Anota E. C.
+50 more
Bader R. F. W.
Berseneva N.
Bickelhaupt F. M.
Boys S. F.
Breneman C. M.
Contreras-Garcia J.
Ding N.
Disch R. L.
Erin R. J.
Fernandes A. M.
Ganesh Kamath
Ghatee M. H.
Gorbachev R. V.
Grade G. B.
Hernandez J. M. G.
Hod O.
Izgorodina E. I.
Jiao Y.
Juárez A. R.
Kamath G.
Kamath G.
Kashyap H. K.
Koch U.
Lee H. Y.
Lin Q.
Mao J. X.
Mehdi Shakourian-Fard
Mohajeri A.
Morokuma K.
Nicolosi V.
O’boyle N. M.
Pacile D.
Ruuska H.
Shakourian-Fard M.
Shakourian-Fard M.
Shakourian-Fard M.
Strout D. L.
Te Velde G.
Tehrani A. Z.
Wagle D.
Wang N. N.
Wang X.
Wang Y.
Wu R. Q.
Xing D.
Zahra Jamshidi
Zhang Y. H.
Zhao Y.
Zhao Y.
Ziyaei H. A.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Meta-Hybrid Density Functional Theory Study of Adsorption of Imidazolium- and Ammonium-Based Ionic Liquids on Graphene Sheet
Author
Ahmad Bayat
Aliakbar Tehrani Z.
+70 more
Bader R. F. W.
Bader R. F. W.
Bagno A.
Bai J.
Boukhvalov D. W.
Boyd D. A.
Boys S. F.
Breneman C. M.
Caragiu M.
Carlsson J. M.
Contreras-Garcia J.
Cuong N. T.
Disch R. L.
Frisch M. J.
Fujita M.
Ganesh Kamath
Gao H.
Geng W.
Ghatee M. H.
Grimme S.
Han M. Y.
Hashimoto A.
Johnson E. R.
Kamath G.
Kamiya Y.
Kashyap H. K.
Kislenko S. A.
Koch U.
Kudin K. N.
Kurig H.
Lee J. H.
Lei Z.
Lockett V.
Mao J. X.
Maolin S.
Marquez A.
Mehdi Shakourian-Fard
Miyazaki H.
Nicolosi V.
Nuvoli D.
Oostinga J. B.
Pertsin A.
Ricca A.
Robinson J. T.
Ruuska H.
Sha M.
Shakourian-Fard M.
Shakourian-Fard M.
Shakourian-Fard M.
Shim Y.
Shim Y.
Sloutskin E.
Soavi F.
Sorescu D. C.
Strout D. L.
Tomanek D.
Tsuda T.
Wagle D.
Wang S.
Wang X.
Wang Y.
Wilkes J. S.
Xu K.
Zahra Jamshidi
Zhang Y.
Zhao X.
Zhao Y.
Zhao Y.
Zhu Z. H.
Zhu Z. H.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Synthesis and spectroscopic characterization of new sulfanilamide-functionalized magnetic nanoparticles, and the usability for carbonic anhydrase purification: is there perspective for ‘cancer treatment’ application?
Author
Aggarwal M.
Atacan K.
+24 more
Bakheet A. A. A. A.
Can K.
Cao M.
Du N.
Freskgård P. O.
García M. M.
Ma C.
Mahdiuni H.
Pastorekova S.
Polo E.
Safari J.
Shakourian-Fard M.
Sharma A.
Singh H.
Sun L.
Sundrarajan M.
Tai Z.
Thiry A.
Tu C.
Ur Rahman O.
Wu M.
Yin P. T.
Zhang X.
Zhu Y.
Publication venue
'Informa UK Limited'
Publication date
Field of study
No full text
Crossref
Na/Zn双离子无水电解液抑制材料溶解及结构 坍塌, 助力卓越循环能力的Zn/Na3V2(PO4)3电池
Author
A Konarov
B Li
+33 more
B Tang
D Kundu
D Kundu
G Fang
G Li
G Li
G Yang
H Tang
HB Zhao
J Ding
J Lang
J Ming
JZ Guo
K Saravanan
L Wang
M Liao
M Shakourian-Fard
M Song
M Yan
P Hu
P Hu
P Hu
P Hu
Q Chen
Q Li
R Liu
S Islam
T Wei
TF Hung
W Duan
W Li
X Zhang
Y Jiang
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Tautomerisation of thymine acts against the Hückel 4 N
Author
Auffinger
Black
+65 more
Boys
Cerda
Chen
Choi
Ciesielski
Corminboeuf
Cyranski
Danilov
Dewar
Dewar
Fallah-Bagher-Shaidaei
Fan
Figeys
Frost
Galaris
Gilli
Gillis
Grimme
Ha
Halina Szatylowicz
Harm
Hobza
Husain
Hückel
Hückel
Hückel
Hückel
Ingold
Kabelac
Krasnokutski
Kruszewski
Kruszewski
Krygowski
Krygowski
López
Martinez
Morsy
Müller
Olga A. Stasyuk
Piacenza
Platt
Poater
Podolyan
Raczynska
Rejnek
Rejnek
Roberts
Rodgers
Russo
Russo
Schleyer
Schleyer
Shakourian-Fard
Stasyuk
Stasyuk
Stasyuk
Steiner
Strazewski
Streitwieser Jr.
Szatylowicz
Tadeusz M. Krygowski
von Eggers Doering
Watson
Wheland
Wiberg
Publication venue
'Royal Society of Chemistry (RSC)'
Publication date
01/01/2014
Field of study
No full text
Crossref
Analysis of the structures, energetics, and vibrational frequencies for the hydrogen-bonded interaction of nucleic acid bases with Carmustine pharmaceutical agent: a detailed computational approach
Author
A Kothandapani
A Sarmah
+49 more
A Sarmah
AD Becke
B Chiavarino
B Jiang
B Mennucci
B RFW
C Lee
E Espinosa
E Espionsa
F Safdari
GJ Cao
H Kong
H Li
H Raissi
H Raissi
H Raissi
H Wang
H Zhao
Heidar Raissi
HP Nguyen
IM Lagoja
J Sponer
JS Murray
L Hokmabady
L Qian
M Rosa
M Shahabi
M Shakourian-Fard
M Sirajuddin
M Westphal
M-H Baik
MA Rubinson
Mahnaz Shahabi
MC Bacchus-Montabonel
MJ Frisch
P Deepa
P Salvatore
Rabeeh Khorram
RM Gester
S VMiertus
S Yamazaki
SF Boys
T Gustavsson
TB Truong
W Zhu
Y Nakanishia
Y Song
YL Zhou
Z Benda
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
In Silico Based Rank-Order Determination and Experiments on Nonaqueous Electrolytes for Sodium Ion Battery Applications
Author
Armand M.
Aurbach D.
+53 more
Bhatnagar N.
Bockris J. O. M.
Bruce P. G.
Chevrier V. L.
Choi N. S.
Darryl P. Butt
Darve E.
Eshetu G. G.
Ganesh Kamath
Goodenough J. B.
Goodenough J. B.
H. Xiong
Henin J.
Jeong G.
Ji X. L.
Joshua Huether
Kamat P. V.
Kamath G.
Kim S. W.
Komaba S.
Kozlova S. A.
Levi E.
Manthiram A.
Mehdi Shakourian-Fard
Myounggu P.
Palomares V.
Phillips J. C.
Ponrouch A.
Ponrouch A.
Richard W. Cutler
Riley Parrish
Roth E. P.
Sankaranarayanan S. K. R. S.
Sanket A. Deshmukh
Slater M. D.
Subramanian K. R. S. Sankaranarayanan
Tarascon J. M.
Tarascon J. M.
Tarascon J. M.
Thackerey M.
Vanommeslaeghe K.
Wadia C.
Whittingham M. S.
Xiong H.
Xiong H.
Xiong H.
Xu K.
Yabuuchi N.
Yang Z. G.
Yildirim H.
Yildirim H.
Yildirim H.
Yoo H. D.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
A quantum chemical study of the interactions of uracil as a constituent of ribonucleic acid (RNA) with thiazolidinedione and rhodanine bioactive molecules: an insight into energetic and structural features
Author
A Dkhissi
A Hidalgo
+61 more
A Jain
AE Reed
AF Pozharskii
AKM Iqbal
AM Jacobine
B Khalili
B Khalili
B Khalili
B Khalili
B Khalili
B Khalili
B Khalili
Behzad Khalili
BR Prashantha Kumar
D Vojta
D Vojta
DJ Brown
DM Rudkevich
E Anslyn
EG Brown
FC Brown
G Chalasinski
H Behzadi
J Emsley
K Müller–dethlefs
KC Hunter
M Shakourian–Fard
M Solimannejad
MD Esrafili
MD Esrafili
MD Esrafili
MD Esrafili
Mehdi Rimaz
MM Szczesniak
N Swath
P Hobza
P Sharmaa
PLA Popelier
Q Zhao
R Afzali
R Romagnoli
R Wieczorek
RFW Bader
RFW Bader
RFW Bader
RH Garrett
RW Saalfrank
S Ali Muhammad
S Grimme
S Kamila
S Pakhira
S Scheiner
S Scheiner
SK Verma
T Schwabe
T Schwabe
VS Jain
WAA Arafa
XF Liu
YZ Zheng
Z Rezaei
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
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