All rights are reserved to Arak University.
All rights are reserved to Arak University.
Arak University
Faculty of Sciences
About Mathematic in Arak University
Department of Mathematics of Arak University ................................................................................
 
 
Mohammad Solimannejad
Faculty of Sciences
Department of Chemistry
Contact Information
Email: m-solimannejad@araku.ac.ir
Phone: +98(86)??????????
Fax: +98(86)?????????
Areas of Expertise
Theoretical Chemistry
Computational Chemistry
Research Interests
Computational study of noncovalent interactions.
DFT study of electronic structure and optical properties of nanomaterials.
Education
Ph.D., Shiraz University, Physical Chemistry (IRAN) (2002)
M.Sc., Shiraz University, Physical Chemistry (IRAN) (1998)
B.Sc., Isfahan University, Pure Chemistry (1996)
Biography
Mohammad Solimannejad was born in 1973 in Abadan, Iran. He received his Ph.D. from Shiraz University in 2002 in the ?eld of Quantum Chemistry. He is currently professor of Theoretical Chemistry at Arak University. His research interests include computational study of noncovalent interactions and DFT study of electronic structure and optical properties of nanomaterials.
Awards
Top young researcher of Physical Chemistry in Iran
Top research of Markazi Province
Top researcher of Arak University
Grants and Contracts Awarded
Postdoctoral Fellow at CTCC, University of Oslo, Norway (2008)
Selected Publications Presentations:
For more information visit:
https://www.researchgate.net/profile/Mohammad_Solimannejad

2016 A Theoretical Study of Nonlinear Optical Features of Alumina Nanostructures with the Groups III and VI Dopants, M Solimannejad, Physical Chemistry Research 4 (4), 627-641
2016 Adsorption of F-, Cl-, Li+ and Na+ on the Exterior Surface of Mg12O12 Nanocage in the Gas Phase and Water Media: A DFT Study, M Solimannejad, H Jouypazadeh, S Kamalinahad, Physical Chemistry Research 4 (4), 591-605
2016 Cooperative and Diminutive Interplay between Halogen, Hydride and Cation-? Interactions, Solimannejad, SM Hosseini, A Zebardasti Physical Chemistry Research 4 (4), 583-589
2016 Sensing Performance of Sc-doped B12N12 Nanocage for Detecting Toxic Cyanogen Gas: A Computational Study, M Solimannejad, S Kamalinahad, E Shakerzadeh, Physical Chemistry Research 4 (3), 315-332
2016 Single-electron aerogen bonds: Do they exist? MD Esrafili, F Mohammadian-Sabet, M Solimannejad, Chemical Physics Letters 659, 196-202
2016 The effect of a strong cation··· ? interaction on a weak selenium··· ? interaction: A theoretical study, M Saberinasab, S Salehzadeh, M Solimannejad, Computational and Theoretical Chemistry
2016 Cooperativity in bifurcated lithium-bonded complexes: A DFT study, M Solimannejad, F Rezaie, MD Esrafili, Chemical Physics Letters 657, 195-198
2016 Selective detection of toxic cyanogen gas in the presence of O 2, and H 2 O molecules using a AlN nanocluster, M Solimannejad, S Kamalinahad, E Shakerzadeh, Physics Letters A
2016 New potential energy surface and rovibrational spectra of Ar
? HCl complex: An ab initio study, H Jouypazadeh, M Solimannejad, H Farrokhpour, Computational and Theoretical Chemistry 1083, 64-71
2016 Microsolvation of CH+ in helium: An ab initio study, M Solimannejad, BS Mirhoseini, MD Esrafili, Journal of Theoretical and Computational Chemistry 15 (02), 1650018
2016 Microsolvation of NO2+ in Helium: An Ab Initio Study on NO2+-Hen Clusters (n
? 7), M Solimannejad, F Mohammadian, MD Esrafili, Physical Chemistry Research 4 (1), 109-117
2016 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 (2), 1165-1179
2016 Sensing of ozone (O 3) molecule via pristine singe-walled aluminum nitride nanotube: A DFT study, S Kamalinahad, M Solimannejad, E Shakerzadeh, Superlattices and Microstructures 89, 390-397
2016 Nonlinear Optical (NLO) Response of Pristine and Functionalized Dodecadehydrotribenzo [18] annulene ([18] DBA): A Theoretical Study, S Kamalinahad, M Solimannejad, E Shakerzadeh, Bulletin of the Chemical Society of Japan 89 (6), 692-699
2015 Interplay between hydrogen bond and single-electron tetrel bond: H3C center dot center dot center dot COX2 center dot center dot center dot HY and H3C center dot center dot center dot CSX2 center dot center dot center dot HY (X= F, Cl; Y= CN, NC) complexes as a working model, Z Rezaei, M Solimannejad, MD Esrafili, COMPUTATIONAL AND THEORETICAL CHEMISTRY 1074, 101-106
2015 Interplay between hydrogen bond and single-electron tetrel bond: H 3 C
? COX 2? HY and H 3 C? CSX 2? HY (X= F, Cl; Y= CN, NC) complexes as a working model, Z Rezaei, M Solimannejad, MD Esrafili, Computational and Theoretical Chemistry 1074, 101-106
2015 Ab initio intermolecular potential energy surface of Ne··· NCCN van der Waals complex: effect of the place of midbond function on the interaction, M Solimannejad, H Jouypazadeh, H Farrokhpour, Molecular Physics 113 (21), 3303-3311
2015 Tuning of chalcogen bonds by cation-? interactions: cooperative and diminutive effects, MD Esrafili, N Saeidi, M Solimannejad, Journal of molecular modeling 21 (11), 1-8
2015 Effect of cooperativity in lithium bonding on the strength of halogen bonding and tetrel bonding:(LiCN)(n) center dot center dot center dot ClYF3 and (LiCN)(n) center dot center dot center dot YF3Cl (Y= C, Si and n= 1-5) complexes as a working model, M Solimannejad, M Orojloo, S Amani, JOURNAL OF MOLECULAR MODELING 21 (7)
2015 Effect of cooperativity in lithium bonding on the strength of halogen bonding and tetrel bonding:(LiCN) n··· ClYF3 and (LiCN) n··· YF3Cl (Y= C, Si and n= 1-5) complexes as a working model, M Solimannejad, M Orojloo, S Amani, Journal of molecular modeling 21 (7), 1-7
2015 Effect of cooperativity in lithium bonding on the strength of hydrogen bonding:(LiCN)(n) center dot center dot center dot HX (n= 1-5, X= F, Cl) complexes as a working model, M Solimannejad, M Orojloo, S Amani, STRUCTURAL CHEMISTRY 26 (3), 793-798
2015 Effect of cooperativity in lithium bonding on the strength of hydrogen bonding:(LiCN) n··· HX (n= 1-5, X= F, Cl) complexes as a working model, M Solimannejad, M Orojloo, S Amani, Structural Chemistry 26 (3), 793-798
2015 Tetrel bond cooperativity in open-chain (CH 3 CN) n and (CH 3 NC) n clusters (n= 2-7): An ab initio study, MD Esrafili, N Mohammadirad, M Solimannejad, Chemical Physics Letters 628, 16-20
2015 Rovibrational energy and spectroscopic constant calculations of complexes pairing via dihydrogen bonds, M Solimannejad, H Jouypazadeh, H Farrokhpour, Journal of molecular modeling 21 (5), 1-6
2015 Mutual influence between anion-? and pnicogen bond interactions: The enhancement of P
? N and P? O interactions by an anion-? bond, MD Esrafili, F Mohammadian-Sabet, M Solimannejad, Journal of Molecular Graphics and Modelling 57, 99-105
2015 Enhancement effect of lithium bonding on the strength of ?-hole interactions in O2S··· NCLi··· NCX and O2S··· CNLi··· CNX complexes (X= H, F, CN, OH and CH3), MD Esrafili, F Mohammadian-Sabet, Molecular Physics 113 (1), 95-103
2015 Computational and Theoretical Chemistry, Z Rezaei, M Solimannejad, MD Esrafili
2014 Hydrogen Abstraction Reaction of Hydroxyl Radical with 1, 1-Dibromoethane and 1, 2-Dibromoethane Studied by Using Semi-Classical Transition State Theory, V Saheb, M Solimannejad, Physical Chemistry Research 2 (2), 123-130
2014 Interplay Between Lithium Bonding and Halogen Bonding in F3CX••• YLi••• NCCN and F3CX••• NCCN••• LiY Complexes (X= Cl, Br; Y= CN, NC) ,M Solimannejad, E Bayatmanesh, M Esrafili, Physical Chemistry Research 2 (2), 171-178
2014 Ab initio intermolecular potential energy surfaces for the Ar-NCCN van der Waals complexes, M Solimannejad, H Jouypazadeh, H Farrokhpour, Molecular Physics 112 (22), 2924-2932
2014 Cooperative interaction between ?-hole and single-electron ?-hole interactions in O2S··· NCX··· CH3 and O2Se··· NCX··· CH3 complexes (X= F, Cl, Br and I), MD Esrafili, M Vakili, M Solimannejad,Molecular Physics 112 (16), 2078-2084
2014 Cooperative effects in pnicogen bonding:(PH 2 F) 2-7 and (PH 2 Cl) 2-7 clusters, MD Esrafili, M Vakili, M Solimannejad, Chemical Physics Letters 609, 37-41
2014 Cooperative and diminutive interplay between the sodium bonding with hydrogen and dihydrogen bondings in ternary complexes of NaC3N with HMgH and HCN (HNC), M Solimannejad, M Rabbani, A Ahmadi, MD Esrafili, Molecular Physics 112 (15), 2017-2022
2014 Enhancement effect of lithium bonding on the strength of pnicogen bonds: XH2P··· NCLi··· NCY as a working model (X= F, Cl; Y= H, F, Cl, CN), M Solimannejad, E Bayati, MD Esrafili, Molecular Physics 112 (15), 2058-2062
2014 DFT study of dimers of dimethyl sulfoxide in gas phase, R Fazaeli, M Solimannejad, Iranian Chemical Communication 2, 244-254
2014 A theoretical evidence for mutual influence between S center dot center dot center dot N (C) and hydrogen/lithium/halogen bonds: competition and interplay between pi-hole and sigma-hole interactions, MD Esrafili, F Mohammadian-Sabet, M Solimannejad, STRUCTURAL CHEMISTRY 25 (4), 1197-1205
2014 A theoretical evidence for mutual influence between S··· N (C) and hydrogen/lithium/halogen bonds: competition and interplay between ?-hole and ?-hole interactions, MD Esrafili, F Mohammadian-Sabet, M Solimannejad, Structural Chemistry 25 (4), 1197-1205
2014 Interplay and competition between the lithium bonding and halogen bonding: R3C··· XCN··· LiCN and R3C··· LiCN··· XCN as a working model (R= H, CH3; X= Cl, Br), M Solimannejad, Z Rezaei, MD Esrafili, Molecular Physics 112 (13), 1783-1788
2014 Mutual interplay between interactions of pi electrons with simultaneous ?-hole interactions: A computational Study, M Solimannejad, A Gholipour, Physical Chemistry Research 2 (1), 1-10
2014 Mutual influence between conventional and unconventional lithium bonds, MD Esrafili, P Fatehi, M Solimannejad, Journal of Molecular Graphics and Modelling 49, 129-137
2014 A theoretical study of substitution effects on halogen-? interactions, MD Esrafili, G Mahdavinia, M Javaheri, HR Sobhi, Molecular Physics 112 (8), 1160-1166
2014 Mutual interplay between pnicogen bond and dihydrogen bond in HMH center dot center dot center dot HCN center dot center dot center dot PH2X complexes (M= Be, Mg, Zn; X= H, F, Cl), MD Esrafili, P Fatehi, M Solimannejad, COMPUTATIONAL AND THEORETICAL CHEMISTRY 1034, 1-6
2014 Mutual interplay between pnicogen bond and dihydrogen bond in HMH
? HCN? PH 2 X complexes (M= Be, Mg, Zn; X= H, F, Cl), MD Esrafili, P Fatehi, M Solimannejad, Computational and Theoretical Chemistry 1034, 1-6
2014 Hydrogen bond strengthening of cis-trans glyoxal dimers in electronic excited states: A theoretical study, H Poorabdollah, R Omidyan, M Solimannejad, G Azimi, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 122, 337-342
2014 Two supramolecular complexes of gallium (III) with different adduct ion pairs containing pyridine-2, 6-dicarboxylic acid: Syntheses, characterization, crystal structures and computational study, J Soleimannejad, S Sheshmani, M Solimannejad, E Nazarnia, Journal of Structural Chemistry 55 (2), 342-352
2014 A Computational Study of 1: 1 and 1: 2 Complexes of Naphthalene with Dimethyl Ether, M Solimannejad, Z Korkani, MD Esrafili, Zeitschrift für Physikalische Chemie 228 (1), 115-125
2014 Substituent effects on cooperativity between lithium bonds, MD Esrafili, P Esmailpour, F Mohammadian?Sabet, M Solimannejad, International Journal of Quantum Chemistry 114 (4), 295-301
2014 Characterization of halogen center dot center dot center dot halogen interactions in crystalline dihalomethane compounds (CH2Cl2, CH2Br2 and CH2I2): a theoretical study, MD Esrafili, M Vakili, M Solimannejad, JOURNAL OF MOLECULAR MODELING 20 (2)
2014 Characterization of halogen··· halogen interactions in crystalline dihalomethane compounds (CH2Cl2, CH2Br2 and CH2I2): a theoretical study, MD Esrafili, M Vakili, M Solimannejad, Journal of molecular modeling 20 (2), 1-6
2014 Theoretical study of the complementarity in halogen-bonded complexes involving nitrogen and halogen as negative sites, MD Esrafili, M Vakili, M Solimannejad, Journal of molecular modeling 20 (2), 1-8
2014 Single electron pnicogen bonded complexes, I Alkorta, J Elguero, M Solimannejad, The Journal of Physical Chemistry A 118 (5), 947-953
2014 Inductive Effect of Bioactive Intermolecular Hydrogen Bonding Complex of 1, 2, 4, 5-Tetrazine and Inorganic Acid by NMR and QTAIM, MH Ghorbani, A Ghoorchian, Journal of Applied Chemical Research 8 (3), 53-62
2014 Interplay and competition between the lithium bonding and halogen bonding: R3C center dot center dot center dot XCN center dot center dot center dot LiCN and R3C center dot center dot center dot LiCN center dot center dot center dot XCN as a working model (R= H, CH3; X= Cl, Br), M Solimannejad, Z Rezaei, MD Esrafili, MOLECULAR PHYSICS 112 (13), 1783-1788
2014 Cooperative interaction between pi-hole and single-electron sigma-hole interactions in O2S center dot center dot center dot NCX center dot center dot center dot CH3 and O2Se center dot center dot center dot NCX center dot center dot center dot CH3 complexes (X= F, Cl, Br and I), MD Esrafili, M Vakili, M Solimannejad, MOLECULAR PHYSICS 112 (16), 2078-2084
2014 Enhancement effect of lithium bonding on the strength of pnicogen bonds: XH2P center dot center dot center dot NCLi center dot center dot center dot NCY as a working model (X= F, Cl; Y= H, F, Cl, CN), M Solimannejad, E Bayati, MD Esrafili, MOLECULAR PHYSICS 112 (15), 2058-2062
2014 Exploring lithium bonding interactions between noble-gas hydrides HXeY and LiX molecules (Y= H, CN, NC and X= H, CN, NC, OH, NH 2, CH 3): A theoretical study, MD Esrafili, P Juyban, M Solimannejad, Computational and Theoretical Chemistry 1027, 84-90
2013 A theoretical survey on strength and characteristics of F••• F, Br••• O and Br••• Br interactions in solid phase, M Esrafili, M Solimannejad, Physical Chemistry Research 1 (2), 142-151
2013 Cooperativity between fluorine-centered halogen bonds: investigation of substituent effects, MD Esraili, F Mohammadian-Sabet, P Esmailpour, M Solimannejad, Journal of molecular modeling 19 (12), 5625-5632
2013 Theoretical study of the interplay between halogen bond and lithium-? interactions: cooperative and diminutive effects, MD Esrafili, P Esmailpour, F Mohammadian-Sabet, M Solimannejad, Chemical Physics Letters 588, 47-50, 2013 On the strength and nature of intermolecular X··· O interactions in CF2ClBr
? O3 complexes (X= F, Cl, Br): an ab initio investigation, MD Esrafili, M Solimannejad, Canadian Journal of Chemistry 92 (1), 33-39
2013 Competition and interplay between the lithium bonding and hydrogen bonding: R3c center dot center dot center dot hy center dot center dot center dot liy and r3c center dot center dot center dot liy center dot center dot center dot hy triads as a working model (r= h, ch3; y= cn, nc), M Solimannejad, Z Rezaei, MD Esrafili, JOURNAL OF MOLECULAR MODELING 19 (11), 5031-5035
2013 Competition and interplay between the lithium bonding and hydrogen bonding: R3C··· HY··· LiY and R3C··· LiY··· HY triads as a working model (R= H, CH3; Y= CN, NC), M Solimannejad, Z Rezaei, MD Esrafili, Journal of molecular modeling 19 (11), 5031-5035
2013 A Study of Donor-Acceptor in the Charge Transfer Molecular Complexes of Some Thiacrown Ethers with Dihalogen Molecules by DFT Method, M Oftadeh, M Moghadary, M Solimannejad, A Semnani, Acta Chimica Slovenica 60 (1), 95-104
2013 Cooperative effects in cyclic licn and hcn clusters: a comparative study, MD Esrafili, P Fatehi, M Solimannejad, Computational and Theoretical Chemistry 1022, 115-120
2013 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 Ab initio study of ternary radical-molecule complexes between HCN (HNC) and HO (HS) species, M Solimannejad, S Ghafari, Structural Chemistry 24 (5), 1493-1498
2013 Revealing substituent effects on the concerted interaction of pnicogen, chalcogen, and halogen bonds in substituted s-triazine ring, M Solimannejad, A Gholipour, Structural Chemistry 24 (5), 1705-1711
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 (9), 3767-3777
2013 Theoretical Study of Mixed Hydrogen and Dihydrogen Bond Interactions in Clusters, A Zabardasti, N Zare, M Arabpour, A Kakanejadifard, M Solimannejad, Journal of Chemistry 2013
2013 Toward understanding the role of water molecules in the uptake of nitrosyl hydride by sulfuric acid aerosols: A computational study, M Solimannejad, M Rabbani, MD Esrafili, Computational and Theoretical Chemistry 1017, 78-84
2013 Theoretical insight into cooperativity in lithium-bonded complexes: linear clusters of LiCN and LiNC,M Solimannejad, S Ghafari, MD Esrafili, Chemical Physics Letters 577, 6-10
2013 Interaction between NaY Zeolite and boric Acid: a preliminary computational study, M Zendehdel, M Solimannejad, Chemistry of Solid Materials 1 (2), 57-63
2013 Analysis of torsional barrier height of HSNO as the simplest S-nitrosothiol, R Fazaeli, M Solimannejad, A Seif, Journal of Chemical Sciences 125 (4), 913-917
2013 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 Theoretical study of hydrogen and halogen bond interactions of methylphosphines with hypohalous acids, A Zabardasti, A Kakanejadifard, H Goudarziafshar, M Salehnassaj, ..., Computational and Theoretical Chemistry 1014, 1-7
2013 Ab initio study of water clustering in the presence of a methyl radical, M Solimannejad, M Gharabaghi, I Alkorta. Structural Chemistry 24 (2), 491-497
2013 A computational study of 1: 1 and 1: 2 complexes of nitryl halides (O2NX) with HCN and HNC, M Solimannejad, N Nassirinia, S Amani, Structural Chemistry 24 (2), 651-659
2013 Orthogonal interactions between nitryl derivatives and electron donors: pnictogen bonds, G S?nchez-Sanz, C Trujillo, M Solimannejad, I Alkorta, J Elguero, Physical Chemistry Chemical Physics 15 (34), 14310-14318
2012 A novel metal organic compound of Al (III): synthesis, crystal structure, spectroscopic and theoretical study, J Soleimannejad, M Solimannejad, Z Derikvand, E Nazarnia, ..., Journal of Chemical Crystallography 42 (12), 1152-1161
2012 Cooperative and diminutive interplay between the hydrogen bonding and halogen bonding in ternary complexes of HCCX (X= Cl, Br) with HCN and HNC, M Solimannejad, M Malekani, Computational and Theoretical Chemistry 998, 34-38
2012 Investigation of the formation of acid rain based on the sulfur tetroxide (SO4 (C2v)) and OH radical reaction, M Goodarzi, M Vahedpour, M Solimannejad, Structural Chemistry 23 (5), 1609-1615
2012 Cooperative and diminutive interplay between lithium and dihydrogen bonding in f3yli center dot center dot center dot nch center dot center dot center dot center dot hmh and f3yli center dot center dot center dot hmh center dot center dot center dot hcn triads (y= c, si; m= be, mg), M Solimannejad, Chemphyschem 13 (13), 3158-3162
2012 Cooperative and Diminutive Interplay Between Lithium and Dihydrogen Bonding in F3YLi… ?NCH… ?HMH and F3YLi… ?HMH… ?HCN Triads (Y= C, Si; M= Be, Mg), M Solimannejad, ChemPhysChem 13 (13), 3158-3162
2012 Theoretical study of molecular interactions of phosphorus ylide with HF, HCN, and HN3, A Zabardasti, A Kakanejadifard, M Ghasemian, M Solimannejad, Structural Chemistry 23 (4), 1155-1161
2012 What is the mechanism of the OSO ring formation in sulfur tetroxide (SO 4 (C 2v)) molecule?, M Goodarzi, M Vahedpour, M Solimannejad, Chemical Physics Letters 538, 10-13
2012 A theoretical study of 1: 1 and 1: 2 complexes of acetylene with nitrosyl hydride, M Solimannejad, M Gharabaghi, I Alkorta, G S?nchez-Sanz, Structural Chemistry 23 (3), 847-856
2012 Competition and interplay between ?-Hole and ?-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 Sa?nchez-Sanz, ..., The Journal of Physical Chemistry A 116 (21), 5199-5206
2012 Ab initio study of synergetic effects of two strong interactions of cation-? interaction and lithium bond in M+··· phenyl lithium··· N (M= Li, Na, K; N= H2O and NH3) complex, Q Li, R Li, X Liu, J Cheng, W Li, Molecular Physics 110 (8), 457-465
2012 Computational study on the reaction mechanism of the gas-phase atom-negative ion of S+ NO2
?: comparative study of mechanism with S+ O3 reaction as isoelectronic and isostructure systems, M Goodarzi, M Vahedpour, M Solimannejad,Structural Chemistry 23 (2), 381-392
2012 Moein Goodarzi, Morteza Vahedpour, M Solimannejad, Struct Chem 23, 1609-1615
2011 Insight into the stability of molecular clusters from the information theory computations, M Solimannejad, S Noorizadeh, M Aarabi, Computational and Theoretical Chemistry 976 (1), 8-11
2011 Stabilities and properties of ozone-sulphuryl fluoride (O3-SO2F2) complexes: a computational study, M Solimannejad, Molecular Simulation 37 (13), 1071-1076
2011 Unconventional H?bonds: SH··· N interaction, M Solimannejad, S Scheiner, International Journal of Quantum Chemistry 111 (12), 3196-3200
2011 Glyoxal oligomers: A computational study, M Solimannejad, S Massahi, I Alkorta, International Journal of Quantum Chemistry 111 (12), 3057-3069
2011 HNO (H2O) n (n= 1-4) clusters: a theoretical study, M Solimannejad, N Nassirinia, S Amani, Structural Chemistry 22 (4), 865-871
2011 A theoretical study of the hydrogen bonding properties of H 2 B NH 2: Some considerations on the basis set superposition error issue, I Alkorta, C Trujillo, J Elguero, M Solimannejad, Computational and Theoretical Chemistry 967 (1), 147-151
2011 Cooperativity between the hydrogen bonding and halogen bonding in F3CX··· NCH (CNH)··· NCH (CNH) complexes (X= Cl, Br), M Solimannejad, M Malekani, I Alkorta, Molecular Physics 109 (13), 1641-1648
2011 Influence of HOCl… O3 and HOCl… HOCl interactions on the stability of O3 (HOCl) 2 complexes: a theoretical study, H Roohi, AR Nowroozi, A Ebrahimi, F Eshghi, E Ahmadepour, Molecular Simulation 37 (05), 386-393
2011 Hydrogen-bonded clusters of hydroperoxyl radical with ammonia: a theoretical study, M Solimannejad, FH Jamshidi, S Amani, Structural Chemistry 22 (1), 193-199
2011 SH center dot center dot center dot N and SH center dot center dot center dot P blue-shifting H-bonds and N center dot center dot center dot P interactions in complexes pairing HSN with amines and phosphines, M Solimannejad, M Gharabaghi, S Scheiner, JOURNAL OF CHEMICAL PHYSICS 134 (2)
2011 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), 024312
2011 Computational and Theoretical Chemistry, M Solimannejad, S Noorizadeh, M Aarabi, B Xu, Q Wang, X Wang
2011 SH··· N AND SH··· P BLUE-SHIFTING H-BONDS AND N··· P INTERACTIONS IN COMPLEXES PAIRING HSN WITH AMINES AND PHOSPHINES, S Mohammad, G Masumeh, S Steve, Journal of Chemical Physics 134 (2)
2011 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