| Competition of hydrogen bonds and halogen bonds in complexes of hypohalous acids with nitrogenated bases I Alkorta, F Blanco, M Solimannejad, J Elguero The Journal of Physical Chemistry A 112 (43), 10856-10863, 2008 | 185 | 2008 |
| SH··· N and SH··· P blue-shifting H-bonds and N··· P interactions in complexes pairing HSN with amines and phosphines M Solimannejad, M Gharabaghi, S Scheiner The Journal of Chemical Physics 134 (2), 2011 | 140 | 2011 |
| Theoretical study of dihydrogen bonds between (XH) 2, X= Li, Na, BeH, and MgH, and weak hydrogen bond donors (HCN, HNC, and HCCH) I Alkorta, K Zborowski, J Elguero, M Solimannejad The Journal of Physical Chemistry A 110 (34), 10279-10286, 2006 | 95 | 2006 |
| Competition and Interplay between σ-Hole and π-Hole Interactions: A Computational Study of 1:1 and 1:2 Complexes of Nitryl Halides (O2NX) with Ammonia M Solimannejad, V Ramezani, C Trujillo, I Alkorta, G Sánchez-Sanz, ... The Journal of Physical Chemistry A 116 (21), 5199-5206, 2012 | 93 | 2012 |
| Single electron pnicogen bonded complexes I Alkorta, J Elguero, M Solimannejad The Journal of Physical Chemistry A 118 (5), 947-953, 2014 | 85 | 2014 |
| Orthogonal interactions between nitryl derivatives and electron donors: pnictogen bonds G Sánchez-Sanz, C Trujillo, M Solimannejad, I Alkorta, J Elguero Physical Chemistry Chemical Physics 15 (34), 14310-14318, 2013 | 84 | 2013 |
| Cooperative and Diminutive Unusual Weak Bonding In F3CX···HMgH···Y and F3CX···Y···HMgH Trimers (X = Cl, Br; Y = HCN, and HNC) M Solimannejad, M Malekani, I Alkorta The Journal of Physical Chemistry A 114 (45), 12106-12111, 2010 | 84 | 2010 |
| Substituent effects on the cooperativity of halogen bonding M Solimannejad, M Malekani, I Alkorta The Journal of Physical Chemistry A 117 (26), 5551-5557, 2013 | 82 | 2013 |
| Mild and green synthesis of tetrahydrobenzopyran, pyranopyrimidinone and polyhydroquinoline derivatives and DFT study on product structures MA Bodaghifard, M Solimannejad, S Asadbegi, S Dolatabadifarahani Research on Chemical Intermediates 42, 1165-1179, 2016 | 69 | 2016 |
| Tetrel bond cooperativity in open-chain (CH3CN) n and (CH3NC) n clusters (n= 2–7): An ab initio study MD Esrafili, N Mohammadirad, M Solimannejad Chemical Physics Letters 628, 16-20, 2015 | 55 | 2015 |
| Mutual interplay between pnicogen bond and dihydrogen bond in HMH⋯ HCN⋯ PH2X complexes (M= Be, Mg, Zn; X= H, F, Cl) MD Esrafili, P Fatehi, M Solimannejad Computational and Theoretical Chemistry 1034, 1-6, 2014 | 55 | 2014 |
| A theoretical evidence for mutual influence between S···N(C) and hydrogen/lithium/halogen bonds: competition and interplay between π-hole and σ-hole interactions MD Esrafili, F Mohammadian-Sabet, M Solimannejad Structural Chemistry 25, 1197-1205, 2014 | 54 | 2014 |
| Synthesis and characterization of cobalt (II), nickel (II), copper (II) and zinc (II) complexes derived from two Schiff base ligands: Spectroscopic, thermal, magnetic moment … M Orojloo, P Zolgharnein, M Solimannejad, S Amani Inorganica Chimica Acta 467, 227-237, 2017 | 52 | 2017 |
| Gas-phase reactions of OH with methyl amines in the presence or absence of molecular oxygen. An experimental and theoretical study L Onel, L Thonger, MA Blitz, PW Seakins, AJC Bunkan, M Solimannejad, ... The Journal of Physical Chemistry A 117 (41), 10736-10745, 2013 | 52 | 2013 |
| Revealing substitution effects on the strength and nature of halogen-hydride interactions: a theoretical study MD Esrafili, M Solimannejad Journal of molecular modeling 19, 3767-3777, 2013 | 51 | 2013 |
| Stabilities and properties of O3–HOCl complexes: A computational study M Solimannejad, I Alkorta, J Elguero Chemical Physics Letters 449 (1-3), 23-27, 2007 | 50 | 2007 |
| Theoretical Study of Complexes and Fluoride Cation Transfer between N2F+ and Electron Donors I Alkorta, M Solimannejad, P Provasi, J Elguero The Journal of Physical Chemistry A 111 (30), 7154-7161, 2007 | 50 | 2007 |
| BC3 graphene-like monolayer as a drug delivery system for nitrosourea anticancer drug: A first-principles perception R Rahimi, M Solimannejad Applied Surface Science 525, 146577, 2020 | 49 | 2020 |
| Theoretical study of the 1: 1 complexes between carbon monoxide and hypohalous acids F Blanco, I Alkorta, M Solimannejad, J Elguero The Journal of Physical Chemistry A 113 (13), 3237-3244, 2009 | 49 | 2009 |
| A theoretical study of the interactions of NF 3 with neutral ambidentate electron donor and acceptor molecules F Blanco, I Alkorta, I Rozas, M Solimannejad, J Elguero Physical Chemistry Chemical Physics 13 (2), 674-683, 2011 | 47 | 2011 |
Mehdi D. EsrafiliFull Professor of Theoretical/Computational Chemistry, University of MaraghehVerified email at maragheh.ac.ir
