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A THEORETICAL QUANTUM STUDY OF THE ELECTRONIC PROPERTIES OF MENTOXY DICHLORO PHOSPHOROUS (C10H19OPCl2)

Amir Lashgari, Shahriar Ghamami, M. Govindarajan, Guillermo Salgado-Morán, Paola Montes Romero, Lorena Gerli Candia

2018-04-25

QUANTUM CHEMICAL DESIGNING OF TRIPHENYLAMINE DYES WITH D-A-Π-A CONFIGURATION FOR DYE SENSITIZED SOLAR CELLS: MOLECULAR ENGINEERING THROUGH FIRST-PRINCIPLES CALCULATIONS

Muhammad Ramzan Saeed Ashraf Janjua

2018-04-25

SYNTHESIS, CHARACTERIZATION, THEORETICAL AND BIOLOGICAL STUDIES OF A NEW MACROCYCLE SCHIFF BASE WHITH Co(II), Ni(II), Cu(II) AND Zn(II) COMPLEXES

Esmaiel Soleimani, Sayed Ali Naghi Taheri, Mohsen Sargolzaei

2018-02-09

TUNING THE ELECTRONIC, PHOTOPHYSICAL AND CHARGE TRANSFER PROPERTIES OF SMALL D-A MOLECULES BASED ON THIENOPYRAZINE-TERTHIENYLS BY CHANGING THE DONOR FRAGMENT: A DFT STUDY

Youssef Ait Aicha, Si Mohamed Bouzzine, Touriya Zair, Mohammed Bouachrine, Mohamed Hamidi, Guillermo Salgado-Morán, R. Ramirez Tagle, Luis H. Mendoza-Huizar

2017-09-02

EXPERIMENTAL AND THEORETICAL ANALYSIS OF N,N’-(ETHANE-1,2-DIYLBIS(4,1-PHENYLENE)) BIS(1-(THIOPHEN-2-YL)METHANIMINE) AND N,N’-(ETHANE-1,2-DIYLBIS(4,1-PHENYLENE))BIS(1-(4- METHYLTHIOPHEN-2-YL)METHANIMINE) SCHIFF BASE LIGANDS

Guhergul Ulucam, Busra Yenturk

2019-03-27

MECHANISTIC STUDY OF A RUTHENIUM HYDRIDE COMPLEX OF TYPE [RuH(CO)(N-N)(PR3)2]+ AS CATALYST PRECURSOR FOR THE HYDROFORMYLATION REACTION OF 1-HEXENE

Sergio A. Moya, Mauricio Yáñez, Catalina Pérez, Rosa López, César Zúñiga, Gloria Cárdenas Jirón

2016-12-10

KINETICS STUDIES ON THE TAUTOMERIC REACTION OF 4-AMINO-5-METHYL-2,4-DIHYDRO-3H-1,2,4- TRIAZOLE-3-THIONE IN THE GAS PHASE: DFT AND CBS-QB3 METHODS USING TRANSITION STATE THEORY

Zahra Kazeminejad, Abolfazl Shiroudi, Khalil Pourshamsian, Farhad Hatamjafari, Ahmad Reza Oliaey

2019-03-27

CHIRAL CHROMATOGRAPHIC ANALYSIS AND ABSOLUTE STEREOCHEMISTRY OF RACEMIC CHLORPHENERAMINE USING CHIRAL HPLC-CD-OR AND TD-DFT CALCULATIONS

Marcelo A. Muñoz

2018-09-12

NEW PHOSPHORUS COMPOUNDS K[PCL3(X)] (X= SCN, CN): PREPARATION AND DFT AND SPECTROSCOPIC STUDIES

Amir Lashgari, Shahriar Ghamami, Guillermo Salgado-Moran, Rodrigo Ramirez-Tagle, Lorena Gerli – Candia

2015-12-10