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
|
Crystallization and Characterization of Magnesium Methanesulfonate Hydrate Mg CH3SO3 2 12H2O
Crystal Growth & Design, Vol. 10, No. 10, Ekim 2010, s. 4327-4333, ISSN: 1528-7483
GENCELİ GUNER F. ELİF, LUTZ MARTİN, SAKURAİ TOSHİMİTSU, SPEK ANTHONY L., HONDOH TAKEO
|
Crystal structure and DNA binding properties of khellin oxime
JOURNAL OF MOLECULAR STRUCTURE, 2019, ISSN: 0022-2860
GÖLCÜ AYŞEGÜL,ŞENEL PELİN,BEYAZİT NESLİHAN,KAYA KEREM,ÖZDEMİR AYŞE
|
Crystal Structure of Ferrocenyl Conjugated Phthalocyanine
4th European Crystallography School, 2 Temmuz 2017
ILGIN NAR,ATSAY ARMAĞAN,HAMURYUDAN ESİN,KOÇAK MAKBULE,GÜL AHMET
|
Crystal Structure of Ferrocenyl Conjugated Phthalocyanine
4th European Crystallography School, 2 Temmuz 2017
ILGIN NAR,ATSAY ARMAĞAN,HAMURYUDAN ESİN,KOÇAK MAKBULE,GÜL AHMET
|
FFCASP: A Massively Parallel Crystal Structure Prediction Algorithm
Journal of Chemical Theory and Computation, Vol. 17, Ocak 2021, ISSN: 1549-9618","1549-9626
DEMİR SAMET, TEKİN ADEM
|
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
|
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
|
Crystal Structure Prediction for Covalent and Molecular Crystals
NANOTR15, 3 Eylül 2019
DEMİR SAMET,TEKİN ADEM
|
Crystal structure and DNA binding properties of khellin oxime
JOURNAL OF MOLECULAR STRUCTURE, 2019, ISSN: 0022-2860
ÖZDEMİR AYŞE,KAYA KEREM,BEYAZİT NESLİHAN,GÖLCÜ AYŞEGÜL,SENEL PELİN
|
Crystal structure and DNA binding properties of khellin oxime
JOURNAL OF MOLECULAR STRUCTURE, 2019, ISSN: 0022-2860
GÖLCÜ AYŞEGÜL,ŞENEL PELİN,BEYAZİT NESLİHAN,KAYA KEREM,ÖZDEMİR AYŞE
|
Development of a novel evolutionary algorithm specialized for crystal structure prediction of molecular systems: MCaSP-Evo
Bilişim Enstitüsü, İstanbul Teknik Üniversitesi, 2019
DENİZHAN TUTAR
|
Crystal structure prediction and ammonia dynamics in strontium ammine complex
Enerji Enstitüsü, İstanbul Teknik Üniversitesi, 2016
MEHMET ÇANKAYA
|
PyCASPESA: A new method for crystal structure prediction
Bilişim Enstitüsü, İstanbul Teknik Üniversitesi, 2017
GÖZDE İNİŞ
|
Crystal structure prediction and ammonia dynamics in calcium ammine
Enerji Enstitüsü, İstanbul Teknik Üniversitesi, 2017
SENCER BÜYÜKYEĞEN
|
Crystal Structure Prediction and Dehydrogenation Mechanism of LiMg(BH4)3(NH3)2
The Journal of Physical Chemistry C, Vol. 125, Ocak 2021, ISSN: 1932-7447","1932-7455
İNİŞ GÖZDE, CAPUTO RİCCARDA, DEMİR SAMET, TEKİN ADEM
|
Towards the crystal structure of thymine: An intermolecular force field development and parallel global cluster optimizations
JOURNAL OF CHEMICAL PHYSICS, Vol. 151, No. 24, Aralık 2019, s. 244302, ISSN: 0021-9606
TEKİN ADEM
|
Ab initio crystal structure prediction A case study NaBH4
J. Solid State. Chem., Vol. 184, Mayıs 2011, s. 1622
RİCCARDA CAPUTO,TEKİN ADEM
|
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
RİCCARDA CAPUTO,ARKADİUSZ KUPCZAK,WİESLAWA SİKORA,TEKİN ADEM
|
Superior Sensor for Be2+ Ion Recognition via the Unprecedented Octahedral Crystal Structure of a One-Dimensional Coordination Polymer of Crown Fused Zinc Phthalocyanine
Inorganic Chemistry, Vol. 58, No. 1, Ocak 2018, s. 909-923, ISSN: 0020-1669
YAVUZ ÖZGÜR, ALÇAY YUSUF, KAYA KEREM, SEZEN MUSTAFA, KIRLANGIÇ ATAŞEN SEÇİL, YILDIRIM MUSTAFA SEMİH, ÖZKILIÇ YILMAZ, TÜZÜN NURCAN, YILMAZ İSMAİL
|