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51

Prediction of Superalkali@C60 Endofullerenes, Their Enhanced Stability and Interesting Properties

Srivastava, Ambrish Kumar, Pandey, Sarvesh Kumar, Misra, Neeraj

Journal:

Chemical Physics Letters

Year:

2016

Language:

english

File:

PDF, 1.60 MB

english, 2016

52

The aromaticity and electronic properties of monosubstituted benzene, borazine and diazadiborine rings: an ab initio MP2 study

Srivastava, Ambrish Kumar, Pandey, Sarvesh Kumar, Misra, Neeraj

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2016

Language:

english

File:

PDF, 1.09 MB

english, 2016

53

Quantum chemical investigation on structures and energetics of Tungsten Fluoride (WF\(_{\boldsymbol {n}}^{~\boldsymbol {q}}\)) species (q=0, ±1;n

SRIVASTAVA, AMBRISH KUMAR, PANDEY, ANOOP KUMAR, MISRA, NEERAJ

Journal:

Journal of Chemical Sciences

Year:

2015

Language:

english

File:

PDF, 847 KB

english, 2015

54

Alogliptin: a Novel Molecule for Improving Glycemic Control in Type II Diabetes Mellitus

B. Ghatak, Somsuvra, S. Patel, Devang, Shanker, Neeraj, Srivastava, Ambrish, S. Deshpand, Shrikalp, J. Panchal, Shital

Journal:

Current Diabetes Reviews

Year:

2010

Language:

english

File:

PDF, 281 KB

english, 2010

55

Designing New Electrolytic Salts for Lithium Ion Batteries Using Superhalogen Anions

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Year:

2016

Language:

english

File:

PDF, 961 KB

english, 2016

56

Structure and properties of li@C60−PF6 endofullerene complex

Srivastava, Ambrish Kumar, Kumar, Abhishek, Misra, Neeraj

Journal:

Physica E: Low-dimensional Systems and Nanostructures

Year:

2016

Language:

english

File:

PDF, 1.20 MB

english, 2016

57

ChemInform Abstract: Novel Li 3 X 3 Supersalts (X: F, Cl, Br and I) and Their Alkalide Characteristics.

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Year:

2014

File:

PDF, 13 KB

2014

58

Structures and basicity of Li N OH ( N = 1 − 5) species

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

International Journal of Quantum Chemistry

Year:

2016

Language:

english

File:

PDF, 458 KB

english, 2016

59

ChemInform Abstract: Gold Oxyfluorides, Au(OF) n (n = 1-6): Novel Superhalogens with Oxyfluoride Ligands.

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Year:

2016

Language:

english

File:

PDF, 21 KB

english, 2016

60

Structure, energetics, spectral and electronic properties of B3N3C54heterofullerene

Srivastava, Ambrish Kumar, Pandey, Sarvesh Kumar, Misra, Neeraj

Journal:

Journal of Nanostructure in Chemistry

Year:

2016

Language:

english

File:

PDF, 1.26 MB

english, 2016

61

Competition between alkalide characteristics and nonlinear optical properties in OLi 3 MLi 3 O (M = Li, Na, and K) complexes

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

International Journal of Quantum Chemistry

Year:

2016

Language:

english

File:

PDF, 573 KB

english, 2016

62

Spectroscopic analyses, intra-molecular interaction, chemical reactivity and molecular docking of imerubrine into bradykinin receptor

Srivastava, Ambrish Kumar, Kumar, Abhishek, Pandey, Sarvesh Kumar, Misra, Neeraj

Journal:

Medicinal Chemistry Research

Year:

2016

Language:

english

File:

PDF, 1.01 MB

english, 2016

63

Molecular Structures, Vibrational Spectra, Electronic Properties, and Molecular Docking of Two Pyrazoline Derivatives Containing 1-Carboxamide and 1-Carbothioamide: A Comparative Study

Kumar, Abhishek, Dwivedi, Apoorva, Srivastava, Ambrish Kumar, Misra, Neeraj, Narayana, B., Samshuddin, S., Sarojini, B. K.

Journal:

Polycyclic Aromatic Compounds

Year:

2016

Language:

english

File:

PDF, 923 KB

english, 2016

64

Spectral (FT-IR, NMR) Analyses, Molecular Structures, and Chemical Bonding of Two Hexahydroacridine-1,8(2 H ,5 H )-dione Derivatives: A Comparative Quantum Chemical Study

Shukla, Dharmesh Vikram, Kumar, Abhishek, Srivastava, Ambrish Kumar, Misra, Neeraj, Brahmachari, Goutam

Journal:

Polycyclic Aromatic Compounds

Year:

2016

Language:

english

File:

PDF, 1.03 MB

english, 2016

65

Functionalization of benzene by superhalogens

Srivastava, Ambrish Kumar, Kumar, Abhishek, Misra, Neeraj

Journal:

Chemical Physics Letters

Year:

2017

Language:

english

File:

PDF, 912 KB

english, 2017

66

A path to design stronger superacids by using superhalogens

Srivastava, Ambrish Kumar, Kumar, Abhishek, Misra, Neeraj

Journal:

Journal of Fluorine Chemistry

Year:

2017

Language:

english

File:

PDF, 512 KB

english, 2017

67

Experimental and quantum chemical studies on poriferasterol – A natural phytosterol isolated from Cassia sophera Linn. (Caesalpiniaceae)

Brahmachari, Goutam, Mondal, Avijit, Nayek, Nayana, Kumar, Abhishek, Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 3.60 MB

english, 2017

68

Superhalogens as Building Blocks of a New Series of Superacids

Srivastava, Ambrish Kumar, Kumar, Abhishek, Misra, Neeraj

Journal:

New Journal of Chemistry

Year:

2017

Language:

english

File:

PDF, 1.54 MB

english, 2017

69

Density functional study on the evolution of superhalogen properties in VOn (n = 1–5) species

Shukla, Dharmesh Vikram, Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Main Group Chemistry

Year:

2017

Language:

english

File:

PDF, 872 KB

english, 2017

70

Structure, electronic properties and electronic excitation analyses of Si 60 Si 60 dimer and Si 59 Al Si 59 P complex

Srivastava, Ambrish Kumar, Pandey, Sarvesh Kumar, Misra, Neeraj

Journal:

Current Applied Physics

Year:

2017

Language:

english

File:

PDF, 3.45 MB

english, 2017

71

DFT Study on Planar (CaO) n Rings (n = 1–5) and Their Hydrogen Storage Behavior: Ca–O Versus Mg–O Clusters

Srivastava, Ambrish Kumar, Misra, Neeraj, Pandey, Sarvesh Kumar

Journal:

Journal of Cluster Science

Year:

2017

Language:

english

File:

PDF, 838 KB

english, 2017

72

Can boron nitride analog of carbon nanoneedle exist?

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Main Group Chemistry

Year:

2016

Language:

english

File:

PDF, 889 KB

english, 2016

73

A computational study on semiconducting Si 60 , Si 59 Al and Si 59 P nanocages

Srivastava, Ambrish Kumar, Pandey, Sarvesh Kumar, Misra, Neeraj

Journal:

Chemical Physics Letters

Year:

2018

Language:

english

File:

PDF, 1.43 MB

english, 2018

74

Application of Superhalogens in the Design of Organic Superconductors

Srivastava, Ambrish Kumar, Kumar, Abhishek, Tiwari, Sugriva Nath, Misra, Neeraj

Journal:

New Journal of Chemistry

Year:

2017

Language:

english

File:

PDF, 1.14 MB

english, 2017

75

Superalkali@C 60 −superhalogen: Structure and nonlinear optical properties of a new class of endofullerene complexes

Srivastava, Ambrish Kumar, Kumar, Abhishek, Misra, Neeraj

Journal:

Chemical Physics Letters

Year:

2017

Language:

english

File:

PDF, 1.57 MB

english, 2017

76

Single- and double-electron reductions of CO 2 by using superalkalis: An ab initio study

Srivastava, Ambrish Kumar

Journal:

International Journal of Quantum Chemistry

Year:

2018

Language:

english

File:

PDF, 659 KB

english, 2018

77

Reduction of Nitrogen Oxides (NO x ) by Superalkalis

Kumar Srivastava, Ambrish

Journal:

Chemical Physics Letters

Year:

2018

Language:

english

File:

PDF, 1.05 MB

english, 2018

78

Organic superalkalis with closed-shell structure and aromaticity

Srivastava, Ambrish Kumar

Journal:

Molecular Physics

Year:

2018

Language:

english

File:

PDF, 989 KB

english, 2018

79

Quantum bound states with interaction potential having linear combination of exponential functions and its possible applications

Kumar Shukla, Vinay, Kumar Srivastava, Ambrish

Journal:

Materials Today: Proceedings

Year:

2018

Language:

english

File:

PDF, 515 KB

english, 2018

80

DFT Studies on AlSe Nano Clusters

Vikram Shukla, Dharmesh, Kumar, Abhishek, Kumar Srivastava, Ambrish, Misra, Neeraj

Journal:

Materials Today: Proceedings

Year:

2018

Language:

english

File:

PDF, 374 KB

english, 2018

81

Normal Modes, Molecular Orbitals and Thermochemical Analyses of 2,4 and 3,4 Dichloro Substituted Phenyl- N -(1,3-thiazol-2-yl)acetamides: DFT Study and FTIR Spectra

Srivastava, Ambrish K., Pandey, Anoop K., Narayana, B., Sarojini, B. K., Nayak, Prakash S., Misra, Neeraj

Journal:

Journal of Theoretical Chemistry

Year:

2014

Language:

english

File:

PDF, 1.98 MB

english, 2014

82

FT-IR, UV–visible, and NMR Spectral Analyses, Molecular Structure, and Properties of Nevadensin Revealed by Density Functional Theory and Molecular Docking

Kumar, Abhishek, Srivastava, Ambrish Kumar, Gangwar, Shashi Kumar, Misra, Neeraj, Brahmachari, Goutam, Mondal, Avijit, Mondal, Sadan

Journal:

Polycyclic Aromatic Compounds

Year:

2018

Language:

english

File:

PDF, 1.08 MB

english, 2018

83

Heterocyclic C2B2N2H6 versus homocyclic C6H6

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Main Group Chemistry

Year:

2015

Language:

english

File:

PDF, 564 KB

english, 2015

84

C60 as Electron Acceptor and Donor: A Comparative DFT Study of Li@C60 and F@C60

Srivastava, Ambrish Kumar, Pandey, Sarvesh Kumar, Pandey, Anoop Kumar, Misra, Neeraj

Journal:

Australian Journal of Chemistry

Year:

2018

Language:

english

File:

PDF, 658 KB

english, 2018

85

Ab Initio Investigations on Non-Metallic Chain-Shaped F H+1+ Series of Superalkali Cations

Srivastava, Ambrish Kumar

Journal:

Chemical Physics Letters

Year:

2019

Language:

english

File:

PDF, 1.49 MB

english, 2019

86

( x = 1–5): a unique series of organic superalkali cations

Srivastava, Ambrish Kumar

Journal:

Molecular Physics

Year:

2019

Language:

english

File:

PDF, 1.71 MB

english, 2019

87

Quantum chemical and molecular docking studies on two potential hepatitis C virus inhibitors

Tiwari, Gargi, Srivastava, Ambrish Kumar, Kumar, Ratnesh, Kumar, Abhishek

Journal:

Main Group Chemistry

Year:

2019

Language:

english

File:

PDF, 1.29 MB

english, 2019

88

BHx+ (x = 1–6) clusters: In the quest for superalkali cation with B-core and H-ligands

Srivastava, Ambrish Kumar

Journal:

Chemical Physics

Year:

2019

Language:

english

File:

PDF, 5.71 MB

english, 2019

89

Quantum chemical and molecular docking studies on two potential hepatitis C virus inhibitors

Tiwari, Gargi, Srivastava, Ambrish Kumar, Kumar, Ratnesh, Kumar, Abhishek

Journal:

Main Group Chemistry

Year:

2019

File:

PDF, 1.29 MB

2019

90

Evolution of Anisotropy, First Order Hyperpolarizability and Electronic Parameters in p-Alkyl-p’-Cynobiphenyl Series of Liquid Crystals: Odd-Even Effect Revisited

Kumar, Abhishek, Srivastava, Ambrish Kumar, Tiwari, Sugriva Nath, Misra, Neeraj, Sharma, Dipendra

Journal:

Molecular Crystals and Liquid Crystals

Year:

2019

Language:

english

File:

PDF, 1.36 MB

english, 2019

91

In-silico investigation of optical, thermal and electronic properties for 4-n-alkoxy benzoic acid series (nOBA; n = 1–8)

Sharma, Dipendra, Srivastava, Ambrish Kumar, Tiwari, Sugriva Nath

Journal:

Journal of Molecular Liquids

Year:

2019

Language:

english

File:

PDF, 8.33 MB

english, 2019

92

Enormously high second-order nonlinear optical response of single alkali atom decorated hexalithiobenzene

Srivastava, Ambrish Kumar

Journal:

Journal of Molecular Liquids

Year:

2019

Language:

english

File:

PDF, 1.16 MB

english, 2019

93

Structures and Electronic Properties of Small AlnSen (n = 1–5) Clusters

Shukla, Dharmesh Vikram, Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Proceedings of the National Academy of Sciences, India Section A: Physical Sciences

Year:

2019

File:

PDF, 1.03 MB

2019

94

Superalkali behavior of ammonium (NH4+) and hydronium (OH3+) cations: a computational analysis

Srivastava, Ambrish Kumar, Misra, Neeraj, Tiwari, S. N.

Journal:

SN Applied Sciences

Year:

2020

Language:

english

File:

PDF, 924 KB

english, 2020

95

M C 6 Li 6 ( M â=âLi, Na and K): a new series of aromatic superalkalis

Srivastava, Ambrish Kumar

Journal:

Molecular Physics

Year:

2020

File:

PDF, 1.79 MB

2020

96

AIP Conference Proceedings [AIP Publishing 3RD INTERNATIONAL CONFERENCE ON CONDENSED MATTER AND APPLIED PHYSICS (ICC-2019) - Bikaner, India (14â15 October 2019)] 3RD INTERNATIONAL CONFERENCE ON CONDENSED MATTER AND APPLIED PHYSICS (ICC-2019) - Computational study on 8-quinolinolato-alkali, an electron transporting material for OLED devices

Tiwari, Aditya, Kumar, Brijesh, Srivastava, Ambrish Kumar

Year:

2020

File:

PDF, 926 KB

2020

97

Structural, spectroscopic analysis of two hexahydroacridine-1,8(2H,5H)-dione derivatives and identification of drug like properties: Experimental and computational study

Kumar, Ratnesh, Kumar, Abhishek, Srivastava, Ambrish Kumar, Brahmachari, Goutam, Tiwari, Gargi, Misra, Neeraj

Journal:

Materials Today: Proceedings

Year:

2020

File:

PDF, 1.95 MB

2020

98

A novel heterocyclic species ``Aluminazine'' and ``Caraluminazine''

Srivastava, Ambrish Kumar, Dwivedi, Apoorva

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2017

File:

PDF, 1.62 MB

2017

99

AIP Conference Proceedings [AIP Publishing 3RD INTERNATIONAL CONFERENCE ON CONDENSED MATTER AND APPLIED PHYSICS (ICC-2019) - Bikaner, India (14â15 October 2019)] 3RD INTERNATIONAL CONFERENCE ON CONDENSED MATTER AND APPLIED PHYSICS (ICC-2019) - Structures and electronic properties of TiFn (n= 1â5) species

Srivastava, Ambrish Kumar, Pandey, Saurabh, Misra, Neeraj

Year:

2020

File:

PDF, 1.13 MB

2020

100

Structural and electronic properties of 2D-activated carbon sheet

Kumar, Ratnesh, Kumar, Abhishek, Rao, B. Keshav, Srivastava, Ambrish K., Verma, Mohan L., Misra, Neeraj

Journal:

Year:

2020

File:

PDF, 1.80 MB

2020