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GENCELİ GUNER F. ELİF, LUTZ MARTİN, SAKURAİ TOSHİMİTSU, SPEK ANTHONY L., HONDOH TAKEO
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Crystal structure stability and electronic properties of hydrated metal sulfates MSO4 H2O n M Ni Mg n 6 7 and their mixed phases A first principles study
Chemical Engineering Science, Vol. 121, Ocak 2015, s. 77-86
FANG CHANGMİNG,LU XİAOQİAN,BUİJS WİM,FAN ZHAOCHUAN,GENCELİ GÜNER FATMA ELİF,VAN HUİS MARİJN A,WİTKAMP GEERT JAN,VLUGT THİJS J H
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Crystal structure and DNA binding properties of khellin oxime
JOURNAL OF MOLECULAR STRUCTURE, Ocak 2019, ISSN: 0022-2860
GÖLCÜ AYŞEGÜL,ŞENEL PELİN,BEYAZİT NESLİHAN,KAYA KEREM,ÖZDEMİR AYŞE
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Crystal Structure of Ferrocenyl Conjugated Phthalocyanine
4th European Crystallography School, 2 Temmuz 2017
ILGIN NAR,ATSAY ARMAĞAN,HAMURYUDAN ESİN,KOÇAK MAKBULE,GÜL AHMET
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Crystal Structure of Ferrocenyl Conjugated Phthalocyanine
4th European Crystallography School, 2 Temmuz 2017
ILGIN NAR,ATSAY ARMAĞAN,HAMURYUDAN ESİN,KOÇAK MAKBULE,GÜL AHMET
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First principles crystal structure prediction for dual cation ammine metal borohydrides
EMN Meeting on Computation and Theory Energy Materials Nanotechnology, 10 Ekim 2016
DEMİR SAMET,TEKİN ADEM
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First-Principles Crystal Structure Prediction of Cu(I)-TCNQ Polymorphs
Journal of Physical Chemistry C, Vol. 124, Ocak 2020, ISSN: 1932-7447
CAPUTO RİCCARDA, DEMİR SAMET, TEKİN ADEM
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Crystal Structure Prediction for Covalent and Molecular Crystals
NANOTR15, 3 Eylül 2019
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FFCASP: A Massively Parallel Crystal Structure Prediction Algorithm
Journal of Chemical Theory and Computation, Vol. 17, Ocak 2021, ISSN: 1549-9618","1549-9626
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Crystal structure and DNA binding properties of khellin oxime
JOURNAL OF MOLECULAR STRUCTURE, Ocak 2019, ISSN: 0022-2860
ÖZDEMİR AYŞE,KAYA KEREM,BEYAZİT NESLİHAN,GÖLCÜ AYŞEGÜL,SENEL PELİN
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Crystal structure and DNA binding properties of khellin oxime
JOURNAL OF MOLECULAR STRUCTURE, Ocak 2019, ISSN: 0022-2860
GÖLCÜ AYŞEGÜL,ŞENEL PELİN,BEYAZİT NESLİHAN,KAYA KEREM,ÖZDEMİR AYŞE
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Crystal structure prediction and ammonia dynamics in calcium ammine
Enerji Enstitüsü, İstanbul Teknik Üniversitesi, 2017
SENCER BÜYÜKYEĞEN
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Development of a novel evolutionary algorithm specialized for crystal structure prediction of molecular systems: MCaSP-Evo
Bilişim Enstitüsü, İstanbul Teknik Üniversitesi, 2019
DENİZHAN TUTAR
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Crystal structure prediction and ammonia dynamics in strontium ammine complex
Enerji Enstitüsü, İstanbul Teknik Üniversitesi, 2016
MEHMET ÇANKAYA
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PyCASPESA: A new method for crystal structure prediction
Bilişim Enstitüsü, İstanbul Teknik Üniversitesi, 2017
GÖZDE İNİŞ
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Machine learning assisted massively parallel crystal structure prediction
Lisansüstü Eğitim Enstitüsü, İstanbul Teknik Üniversitesi, 2023
SAMET DEMİR
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Investigations of magnetic and crystal structure of coated Zn doped iron oxide nanoparticles
Fen Bilimleri Enstitüsü, Gebze Teknik Üniversitesi, 2021
GÜLSÜM ÇALIŞKAN
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Hydrogen Storage in Trimetallic Borohydrides: a Crystal Structure Prediction and Ab Initio Molecular Dynamics Simulations Study
American Chemical Society (ACS), Vol. 127, Eylül 2023, ISSN: 1932-7447
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Ab initio crystal structure prediction by combining symmetry analysis representations and total energy calculations An insight into the structure of Mg BH4 2
Phys. Chem. Chem. Phys., Vol. 15, Ocak 2013, s. 1471
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Ab initio crystal structure prediction A case study NaBH4
J. Solid State. Chem., Vol. 184, Mayıs 2011, s. 1622
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