M. Solimannejad: search on Z-Library

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1

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

2

DFT study of the local molecular properties for the electrophilic substitution in 2 substituted benzenes

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2002

Language:

english

File:

PDF, 82 KB

english, 2002

3

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

4

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

5

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

6

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

7

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

8

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

9

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

10

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

11

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

12

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

13

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

14

Computational Study of the Protonation of AlXH2 and AlX2H (X: F, Cl, and Br). Structures of AlXH+3 and AlX2H+2 and Their Dihydrogen Complexes AlXH+5 and AlX2H+4.

A. El Firdoussi, A. Boutalib, M. Solimannejad

Journal:

Year:

2003

File:

PDF, 70 KB

2003

15

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

16

Theoretical investigation of the weakly dihydrogen bonded dimers H2 − nXnAlH⋯HArF and H2 − nXnAlH⋯HKrF (n = 0–2; X = F, Cl)

Mohammad Solimannejad, Abderrahim Boutalib

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 214 KB

english, 2006

17

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

18

The π-type hydrogen bond with triple C–C bond acting as a proton-acceptor. A gradient-corrected hybrid HF-DFT and MP2 study of the phenol–acetylene dimer in the neutral S0 ground state

Ljupčo Pejov, Mohammad Solimannejad, Viktor Stefov

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 260 KB

english, 2006

19

A computational study of dimers and trimers of nitrosyl hydride: Blue shift of NH bonds that are involved in H-bond and orthogonal interactions

Mohammad Solimannejad, Shokofeh Massahi, Ibon Alkorta

Journal:

Chemical Physics

Year:

2009

Language:

english

File:

PDF, 324 KB

english, 2009

20

A theoretical study of the hydrogen bonding properties of H2BNH2: Some considerations on the basis set superposition error issue

Ibon Alkorta, Cristina Trujillo, Jose Elguero, Mohammad Solimannejad

Journal:

Computational and Theoretical Chemistry

Year:

2011

Language:

english

File:

PDF, 376 KB

english, 2011

21

The case of a very weakly π-hydrogen bonded fluorobenzene–methanol complex. A gradient-corrected density functional and MP2 study of the ground electronic state potential energy surface

Mohammad Solimannejad, Ljupco Pejov

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 251 KB

english, 2004

22

A computational study of the weakly bound dimers XBeH⋯HArF (X=H, F, Cl and Br)

Mohammad Solimannejad, Abderrahim Boutalib

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 158 KB

english, 2004

23

The HOO–SO3 radical complex: ab initio and density-functional study

Mohammad Solimannejad, Gholamhassan Azimi, Ljupčo Pejov

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 189 KB

english, 2004

24

Characterization of hydrogen bonds in the interactions between HO2 radical and amides

Mohammad Solimannejad, Gholamhassan Azimi, Ljupčo Pejov

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 314 KB

english, 2004

25

Theoretical study of the HCN–CH3 and HNC–CH3 radicals: Hydrogen and covalent bonding

M. Solimannejad, M.E. Alikhani

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 106 KB

english, 2005

26

Thermochemical stability of the HO2–HOCl complex

A.F. Jalbout, X.H. Li, M. Solimannejad

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 132 KB

english, 2006

27

XeH2 as a proton-accepting molecule for dihydrogen bonded systems: A theoretical study

Mohammad Solimannejad, Leyla Mohammadi Amlashi, Ibon Alkorta, Jose Elguero

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 129 KB

english, 2006

28

Weak hydrogen bonds in complexes pairing monohalomethanes with neutral formic acid

Mohammad Solimannejad, Steve Scheiner

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 151 KB

english, 2006

29

Hydrogen bonding of radicals: Interaction of dimethyl ether with HOO, HOOH, and HOO−

Mohammad Solimannejad, Steve Scheiner

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 159 KB

english, 2006

30

Ab initio study of complexes pairing HRgX and H2 (Rg = Ar, Kr and X = F, Cl, CN)

Mohammad Solimannejad, Ibon Alkorta

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 136 KB

english, 2007

31

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

32

A computational study of dimers and trimers of hypohalous acids

Mohammad Solimannejad, Ibon Alkorta, Jose Elguero

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 448 KB

english, 2008

33

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

34

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

35

Theoretical study of structure, stability and infrared spectra of CH3XSO3 (X = F, Cl, Br) complexes

Mohammad Solimannejad, Daryoush Tahmassebi, Mohammad Esmaı̈l Alikhani

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2005

Language:

english

File:

PDF, 61 KB

english, 2005

36

Definition and application of a novel valence molecular connectivity index

X.H. Li, A.F. Jalbout, M. Solimannejad

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 79 KB

english, 2003

37

A comprehensive computational study of N2H+–XH, N2H+–X2, and N2H+–XY(YX) (X=Y=F, Cl, and Br) proton bound complexes

A. Boutalib, M. Solimannejad

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 99 KB

english, 2003

38

Computational investigation of CH3+−NH3−nXn (n=0–3; X=F, Cl) interactions

Mohammad Solimannejad, Abderrahim Boutalib

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 110 KB

english, 2004

39

Rate coefficient and mechanism of the gas phase OPSCN→OPNCS isomerization: a density functional theory study

Abraham F. Jalbout, Chia M. Chang, A. Galano, M. Solimannejad

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 118 KB

english, 2004

40

Analytical potential energy function and vibrational spectra of OPSCN: density functional theory calculations

Abraham F. Jalbout, Chia M. Chang, M. Solimannejad

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 192 KB

english, 2004

41

On the importance of restricted wave function: a comment on the N2–CO+ case

B Madebene, M Solimannejad, M.E Alikhani

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 66 KB

english, 2004

42

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

43

Analysis of torsional barrier height of dithioglyoxal

Mohammad Solimannejad, Ljupčo Pejov

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 98 KB

english, 2004

44

Single-electron proton bound complexes of methyl radical: A theoretical study

Mohammad Solimannejad, Leyla Mohammadi Amlashi, Ljupčo Pejov

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 89 KB

english, 2006

45

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

46

Theoretical study and AIM analysis of hydrogen bonded clusters of water and isocyanic acid

Abedien Zabardasti, Mohammad Solimannejad

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 468 KB

english, 2007

47

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

48

Theoretical study of the halogen−hydride complexes between XeH2 and carbon halogenated derivatives

Mohammad Solimannejad, Masumeh Malekani, Ibon Alkorta

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 357 KB

english, 2010

49

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

50

The FC(O)OF torsional potential: thermochemistry and kinetics

Z.Y. Zhou, A.F. Jalbout, A. Galano, M. Solimannejad, H. Abou-Rachid

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 145 KB

english, 2005