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1

Cooperativity between the hydrogen bonding and halogen bonding in F 3 CX ··· NCH(CNH) ··· NCH(CNH) complexes (X=Cl, Br)

Solimannejad, Mohammad, Malekani, Masumeh, Alkorta, Ibon

Journal:

Molecular Physics

Year:

2011

Language:

english

File:

PDF, 480 KB

english, 2011

2

Theoretical insight into cooperativity in lithium-bonded complexes: Linear clusters of LiCN and LiNC

Solimannejad, Mohammad, Ghafari, Saber, Esrafili, Mehdi D.

Journal:

Chemical Physics Letters

Year:

2013

Language:

english

File:

PDF, 420 KB

english, 2013

3

Toward understanding the role of water molecules in the uptake of nitrosyl hydride by sulfuric acid aerosols: A computational study

Solimannejad, Mohammad, Rabbani, Mohaddeseh, Esrafili, Mehdi D.

Journal:

Computational and Theoretical Chemistry

Year:

2013

Language:

english

File:

PDF, 1.20 MB

english, 2013

4

Cooperative interaction between π-hole and single-electron σ -hole interactions in O 2 S···NCX···CH 3 and O 2 Se···NCX···CH 3 complexes (X = F, Cl, Br and I)

Esrafili, Mehdi D., Vakili, Mahshad, Solimannejad, Mohammad

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 301 KB

english, 2014

5

Enhancement effect of lithium bonding on the strength of pnicogen bonds: XH 2 P···NCLi···NCY as a working model (X = F, Cl; Y = H, F, Cl, CN)

Solimannejad, Mohammad, Bayati, Elham, Esrafili, Mehdi D.

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 143 KB

english, 2014

6

Ab initio intermolecular potential energy surfaces for the Ar–NCCN van der Waals complexes

Solimannejad, Mohammad, Jouypazadeh, Hamidreza, Farrokhpour, Hossein

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 528 KB

english, 2014

7

Interplay and competition between the lithium bonding and halogen bonding: R 3 C···XCN···LiCN and R 3 C···LiCN···XCN as a working model (R = H, CH 3 ; X = Cl, Br)

Solimannejad, Mohammad, Rezaei, Zahra, Esrafili, Mehdi D.

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 234 KB

english, 2014

8

A comparative ab initio study of SF6⋯X− and CF4⋯X− complexes (X =  H, F, Cl, CN, NC, N3 and NCO)

Mohammad Solimannejad, Ibon Alkorta, José Elguero

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 287 KB

english, 2007

9

Substituent effects on cooperativity between lithium bonds

Esrafili, Mehdi D., Esmailpour, Parvin, Mohammadian-Sabet, Fariba, Solimannejad, Mohammad

Journal:

International Journal of Quantum Chemistry

Year:

2014

Language:

english

File:

PDF, 347 KB

english, 2014

10

Cooperative and diminutive interplay between the sodium bonding with hydrogen and dihydrogen bondings in ternary complexes of NaC 3 N with HMgH and HCN (HNC)

Solimannejad, Mohammad, Rabbani, Mohaddeseh, Ahmadi, Amineh, Esrafili, Mehdi D.

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 279 KB

english, 2014

11

Revealing substitution effects on the strength and nature of halogen-hydride interactions: a theoretical study

Esrafili, Mehdi D., Solimannejad, Mohammad

Journal:

Journal of Molecular Modeling

Year:

2013

Language:

english

File:

PDF, 459 KB

english, 2013

12

Cooperative effects in cyclic LiCN and HCN clusters: A comparative study

Esrafili, Mehdi D., Fatehi, Parvin, Solimannejad, Mohammad

Journal:

Computational and Theoretical Chemistry

Year:

2013

Language:

english

File:

PDF, 549 KB

english, 2013

13

Computational Investigation of SO3—NH3-nXn (n = 0—3; X: F, Cl) Interactions

Mohammad Solimannejad, Abderrahim Boutalib

Journal:

Year:

2005

File:

PDF, 55 KB

2005

14

Nonperturbative solutions for one-dimensional Schrödinger equation with position-dependent mass

Mohammad Solimannejad, Seyed Kamran Moayedi, Majid Tavakoli

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 223 KB

english, 2006

15

A Computational Study of the Potential Energy Surface of Peroxyformic Acid Dimers

Solimannejad, Mohammad, Shahbazi, Fatemeh, Alkorta, Ibon

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.80 MB

english, 2010

16

Single-electron aerogen bonds: Do they exist?

Esrafili, Mehdi D., Mohammadian-Sabet, Fariba, Solimannejad, Mohammad

Journal:

Chemical Physics Letters

Year:

2016

Language:

english

File:

PDF, 1.04 MB

english, 2016

17

Existence and characterization of HOOHOOOH radical-molecule complexes: A computational study

Mohammad Solimannejad, Shokofeh Massahi, Steve Scheiner

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 231 KB

english, 2009

18

Mutual influence between conventional and unconventional lithium bonds

Esrafili, Mehdi D., Fatehi, Parvin, Solimannejad, Mohammad

Journal:

Journal of Molecular Graphics and Modelling

Year:

2014

Language:

english

File:

PDF, 1.01 MB

english, 2014

19

Competition between Nonclassical Hydrogen-Bonded Acceptor Sites in Complexes of Neutral AH 2 Radicals (A = B, Al, and Ga): A Theoretical Investigation

Solimannejad, Mohammad, Alkorta, Ibon

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 176 KB

english, 2006

20

Tetrel bond cooperativity in open-chain (CH3CN)n and (CH3NC)n clusters (n=2–7): An ab initio study

Esrafili, Mehdi D., Mohammadirad, Nafiseh, Solimannejad, Mohammad

Journal:

Chemical Physics Letters

Year:

2015

Language:

english

File:

PDF, 789 KB

english, 2015

21

On the strength and nature of intermolecular X···O interactions in CF 2 ClBr−O 3 complexes (X = F, Cl, Br): an ab initio investigation

Esrafili, Mehdi D., Solimannejad, Mohammad

Journal:

Canadian Journal of Chemistry

Year:

2014

Language:

english

File:

PDF, 1.27 MB

english, 2014

22

A computational study for the B 30 bowl-like nanostructure as a possible candidate for drug delivery system for amantadine

Noroozi, Zeinab, Rahimi, Rezvan, Solimannejad, Mohammad

Journal:

Computational and Theoretical Chemistry

Year:

2018

Language:

english

File:

PDF, 2.57 MB

english, 2018

23

Complexes pairing aliphatic amines with hydroxyl and hydroperoxyl radicals: A computational study

Mohammad Solimannejad, Claus J. Nielsen, Steve Scheiner

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 171 KB

english, 2008

24

Computational study on the reaction mechanism of the gas-phase atom-negative ion of S

Moein Goodarzi, Morteza Vahedpour, Mohammad Solimannejad

Journal:

Structural Chemistry

Year:

2012

Language:

english

File:

PDF, 713 KB

english, 2012

25

Reply to Comment on “Computational Investigation of SO 3 −NH 3- n X n ( n = 0−3; X = F, Cl) Interactions”

Solimannejad, Mohammad, Boutalib, Abderrahim

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 6 KB

english, 2005

26

New potential energy surface and rovibrational spectra of Ar⋯HCl complex: An ab initio study

Jouypazadeh, Hamidreza, Solimannejad, Mohammad, Farrokhpour, Hossein

Journal:

Computational and Theoretical Chemistry

Year:

2016

Language:

english

File:

PDF, 729 KB

english, 2016

27

A computational study of interplay between hydride bonding and cation–π interactions: H-Mg-H···X···Y triads (X = Li + , Na + , Y = C 2 H 2 , C 2 H 4 , C 6 H 6 ) as model systems

Solimannejad, Mohammad, Hosseini, Seyyedeh Marziyeh, Zabardasti, Abedien

Journal:

Molecular Physics

Year:

2017

Language:

english

File:

PDF, 598 KB

english, 2017

28

Correction to: Hydrazine trapping ability of Si12C12 fullerene-like nanoclusters: a DFT study

Rahimi, Rezvan, Solimannejad, Mohammad

Journal:

Structural Chemistry

Year:

2020

Language:

english

File:

PDF, 477 KB

english, 2020

29

Computational investigation of (n = 0–3; X = F, Cl, and Br) interactions

Mohammad Solimannejad, Masoud Haratian, Abderrahim Boutalib

Journal:

International Journal of Mass Spectrometry

Year:

2004

Language:

english

File:

PDF, 80 KB

english, 2004

30

Stabilities and properties of ozone–nitrosyl hydride (O3–HNO) complexes: A computational study

Mohammad Solimannejad, Ibon Alkorta, Jose Elguero

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 392 KB

english, 2009

31

Theoretical study of hydrogen bonded clusters of water and fulminic acid

Abedien Zabardasti, Mohammad Solimannejad

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 391 KB

english, 2007

32

Cooperative and Diminutive Interplay Between Lithium and Dihydrogen Bonding in F3YLi…NCH…HMH and F3YLi…HMH…HCN Triads (Y=C, Si; M=Be, Mg)

Dr. Mohammad Solimannejad

Journal:

Year:

2012

Language:

english

File:

PDF, 523 KB

english, 2012

33

Theoretical study of molecular interactions of phosphorus ylide with HF, HCN, and HN3

Zabardasti, Abedien, Kakanejadifard, Ali, Ghasemian, Motaleb, Solimannejad, Mohammad

Journal:

Structural Chemistry

Year:

2012

Language:

english

File:

PDF, 373 KB

english, 2012

34

Cooperative and Diminutive Unusual Weak Bonding In F 3 CX···HMgH···Y and F 3 CX···Y···HMgH Trimers (X = Cl, Br; Y = HCN, and HNC)

Solimannejad, Mohammad, Malekani, Masumeh, Alkorta, Ibon

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 209 KB

english, 2010

35

A computational study of 1:1 and 1:2 complexes of nitryl halides (O2NX) with HCN and HNC

Mohammad Solimannejad, Nassim Nassirinia, Saeid Amani

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 402 KB

english, 2013

36

Competition between hydrogen and dihydrogen bonding: interaction of B2H6 with CH3OH and CHnX3−nOH derivatives

Zabardasti, Abedien, Kakanejadifard, Ali, Hoseini, Akram-Alsadat, Solimannejad, Mohammad

Journal:

Dalton Transactions

Year:

2010

Language:

english

File:

PDF, 305 KB

english, 2010

37

Nature of interactions in open-shell complexes pairing H 2 X with HXX, X=S,O

Solimannejad, Mohammad, Scheiner, Steve

Journal:

Molecular Physics

Year:

2009

Language:

english

File:

PDF, 140 KB

english, 2009

38

Hydrogen storage on pristine and Li-decorated BC 6 N monolayer from first-principles insights

Rahimi, Rezvan, Solimannejad, Mohammad

Journal:

Molecular Physics

Year:

2020

File:

PDF, 3.85 MB

2020

39

Torsional barrier height of HC(S)SH: high level ab initio study

Mohammad Solimannejad, Masoud Haratian

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 73 KB

english, 2004

40

An ab initio and QTAIM study of hydrogen bonded clusters of nitrosyl hydride with ammonia

Mohammad Solimannejad, Farshideh Hasanvand Jamshidi, Saeid Amani

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 477 KB

english, 2010

41

Sensing of ozone (O3) molecule via pristine singe-walled aluminum nitride nanotube: A DFT study

Kamalinahad, Saeedeh, Solimannejad, Mohammad, Shakerzadeh, Ehsan

Journal:

Superlattices and Microstructures

Year:

2015

Language:

english

File:

PDF, 765 KB

english, 2015

42

Sensing performance of Cu-decorated Si 12 C 12 nanocage towards toxic cyanogen gas: a DFT study

Solimannejad, Mohammad, Anjiraki, Azin Karimi, Kamalinahad, Saeedeh

Journal:

Materials Research Express

Year:

2017

Language:

english

File:

PDF, 4.39 MB

english, 2017

43

Stabilities and properties of O3–HOCl complexes: A computational study

Mohammad Solimannejad, Ibon Alkorta, Jose Elguero

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 474 KB

english, 2007

44

Ab initio molecular orbital investigation of SiOH+–XH, SiOH+–X2 and SiOH+–XY(YX) (X = Y = F, Cl and Br) proton-bond complexes

Mohammad Solimannejad, Masoud Haratian, Abderrahim Boutalib

Journal:

International Journal of Mass Spectrometry

Year:

2005

Language:

english

File:

PDF, 90 KB

english, 2005

45

Investigation of the formation of acid rain based on the sulfur tetroxide (SO4(C2v)) and OH radical reaction

Goodarzi, Moein, Vahedpour, Morteza, Solimannejad, Mohammad

Journal:

Structural Chemistry

Year:

2012

Language:

english

File:

PDF, 432 KB

english, 2012

46

Selective detection of toxic cyanogen gas in the presence of O2, and H2O molecules using a AlN nanocluster

Solimannejad, Mohammad, Kamalinahad, Saeedeh, Shakerzadeh, Ehsan

Journal:

Physics Letters A

Year:

2016

Language:

english

File:

PDF, 1.69 MB

english, 2016

47

Symmetric bifurcated halogen bonds: substituent and cooperative effects

Esrafili, Mehdi D., Vessally, Esmail, Solimannejad, Mohammad

Journal:

Molecular Physics

Year:

2016

Language:

english

File:

PDF, 1.02 MB

english, 2016

48

Evaluation of one-dimensional potential energy surfaces for prediction of spectroscopic properties of hydrogen bonds in linear bonded complexes

Jouypazadeh, Hamidreza, Farrokhpour, Hossein, Solimannejad, Mohammad

Journal:

Journal of Molecular Modeling

Year:

2017

Language:

english

File:

PDF, 1.20 MB

english, 2017

49

Reliability of gaussian based ab initio methods in the calculations of HClO and HOCl decomposition channels

Abraham F. Jalbout, Mohammad Solimannejad

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 75 KB

english, 2003

50

Theoretical study of dihydrogen bonds in HnMH⋯HArF and HnMH⋯HKrF complexes (n = 1–3; M = Be, Al, Ga, Si, Ge)

Mohammad Solimannejad, Ibon Alkorta

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 223 KB

english, 2006

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