Computational Investigations on IR, UV-VIS and NMR Spectra of Copper(II) Phenanthroline Complexes with DFT Method Journal title: Cumhuriyet Science journal Authors: Koray SAYIN Subject(s):
Calculation of the Stability and Rebuilding of the Crystal Surface Within DFT-Calculations Journal title: Фізика і хімія твердого тіла Authors: B.P. Naidych Subject(s):
Structural, Bonding and Spectral Analysis of an anti-malarial drug 5-(4-chloro phenyl)-6-ethyl-2,4-pyrimidinediamine Journal title: Bulletin of Pure and Applied Sciences Sec. C – Chemistry Authors: V.S. Jayakumar Subject(s):
Modeling computational studies of modified drug molecules binding to the LRRK2 protein in the treatment of Parkinson’s disease Journal title: Engineering of Biomaterials / Inżynieria Biomateriałów Authors: H. Shah, J. A. Darsey Subject(s):
Determination of the Effect of Chalcogen Replacement on the Interaction Site and Transition State of the Substituted Analogues of Formaldehyde with Aldehyde Oxidase: A Density Functional Theory Approach Journal title: Earthline Journal of Chemical Sciences Authors: Tadege Belay Subject(s):
Pumiliotoxin-B and Some of its Isomeric Structures - A DFT Study Journal title: Earthline Journal of Chemical Sciences Authors: Lemi Türker Subject(s):
Właściwości wewnątrzcząsteczkowych wiązań wodorowych w wybranych N-tlenkach pochodnych chinoliny Journal title: Wiadomości Chemiczne Authors: Aneta Jezierska, Jarosław Panek, Kacper Błaziak Subject(s):
Contemplation on Alizarin Blue - A DFT Treatment Journal title: Earthline Journal of Chemical Sciences Authors: Lemi Türker Subject(s):
Równowagi asocjacyjne alkilopochodnych mocznika i tiomocznika Journal title: Wiadomości Chemiczne Authors: Maria Rospenk, Aleksander Koll, Monika Obrzud Subject(s):
DFT studies of small rare-gas clusters Journal title: PARIPEX-Indian Journal of Research Authors: Koushiki Gupta, Asoke P. Chattopadhyay Subject(s):
FACILE SYNTHESIS, SPECTRAL STUDIES, DFT CALCULATIONS AND BIOLOGICAL ACTIVITIES OF NOVEL NI (II), CU (II), AND PD (II) COMPLEXES OF THIADIAZOLE ANALOGS Journal title: International Journal of Pharmacy and Pharmaceutical Sciences Authors: Priyanka Bhatt, S. Deepthi, Ch. Ravi Shankar Kumar, Anjali Jha Subject(s):
COMPUTATIONAL AND POLAROGRAPHIC STUDY ON DRUG-RECEPTOR INTERACTION FOR CARVEDILOL Journal title: International Journal of Pharmacy and Pharmaceutical Sciences Authors: Oraas Adnanhatem, Falah Shareef Abed Suhail, Amer Mousa Juda Subject(s):
The AIM, RDG, NBO, Quantum and Structural Study of Adsorption of Phosgene Gas on the Surface of Pristine and Al, P Doped Ga12N12 Nano Cluster: A DFT Method Journal title: Chemical Methodologies Authors: P. Hosseini, M. Rezaei‒Sameti Subject(s):
The Reactions of Carbon Monoxide Catalytic Oxidation on Ti and Zr-embedded Graphene, a DFT Study Journal title: Materials Science-Medžiagotyra Authors: Fengming XIE, Jiawei JIANG, Jiyu TANG, Jia LU, Guoliang DAI, Gangling CHEN Subject(s):
Structural and Vibrational Study On the Acid, Hexa-Hydrated and Anhydrous Trisodic Salts of Antiviral Drug Foscarnet Journal title: Drug Designing & Intellectual Properties International Journal Authors: Maximiliano A Iramain, Silvia A Brandán Subject(s):
