Goel, Neetu: search on Z-Library

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1

Density functional studies of LiN and LiN+ (N = 2–30) clusters: Structure, binding and charge distribution

Neetu Goel, Seema Gautam, Keya Dharamvir

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 1.31 MB

english, 2012

2

Influence of Carbon-Doping by Boron/Nitrogen Substitution in Boron Nitride Nanotube, a Density Functional Theory Study of Nuclear Quadrupole Resonance Parameters

Kaur, Jasleen, Goel, Neetu

Journal:

Journal of Computational and Theoretical Nanoscience

Year:

2013

Language:

english

File:

PDF, 4.28 MB

english, 2013

3

Computational Design of Boron Doped Lithium (BLi n ) Cluster-Based Catalyst for N 2 Fixation

Riyaz, Mohd, Goel, Neetu

Journal:

Computational and Theoretical Chemistry

Year:

2018

Language:

english

File:

PDF, 1001 KB

english, 2018

4

Boron nitride nanomaterials with different morphologies: Synthesis, characterization and efficient application in dye adsorption

Singla, Preeti, Goel, Neetu, kumar, Vinod, Singhal, Sonal

Journal:

Ceramics International

Year:

2015

Language:

english

File:

PDF, 3.29 MB

english, 2015

5

Nucleotide conjugated (ZnO)3 cluster: Interaction and optical characteristics using TDDFT

Kumari, Indu, Kaur, Navjot, Gupta, Shuchi, Goel, Neetu

Journal:

Journal of Molecular Graphics and Modelling

Year:

2019

Language:

english

File:

PDF, 1.53 MB

english, 2019

6

Multiomics approach showing genome-wide copy number alterations and differential gene expression in different types of North-Indian pediatric brain tumors

Singh, Neetu, Sahu, Dinesh Kumar, Mishra, Archana, Agarwal, Preeti, Goel, Madhu Mati, Chandra, Anil, Singh, Sunil Kumar, Srivastava, Chhitij, Ojha, Bal Krishna, Gupta, Devendra Kumar, Kant, Ravi

Journal:

Year:

2015

Language:

english

File:

PDF, 1.49 MB

english, 2015

7

Menshutkin reaction between DABCO and benzyfluoride/fluorodiphenylmethane: a mechanistic study

Singh, Amritpal, Goel, Neetu

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 319 KB

english, 2014

8

Effect of substitutional carbon-doping in BNNTs on HF adsorption: DFT study

Kaur, Jasleen, Singhal, Sonal, Goel, Neetu

Journal:

Superlattices and Microstructures

Year:

2014

Language:

english

File:

PDF, 1.44 MB

english, 2014

9

AIP Conference Proceedings [AIP Publishing LLC SOLID STATE PHYSICS: Proceedings of the 58th DAE Solid State Physics Symposium 2013 - Thapar University, Patiala, Punjab, India (17–21 December 2013)] - Activation and adsorption of CO2 on copper surfaces and clusters

Gautam, Seema, Goel, Neetu, Dharmvir, Keya

Year:

2014

Language:

english

File:

PDF, 144 KB

english, 2014

10

Cycloaddition of CS 2 to N-benzylaziridine to synthesize N-benzylthiazolidine-2-thione: a novel reaction route proposed by DFT Study

Singh, Amritpal, Goel, Neetu

Journal:

Journal of Physical Organic Chemistry

Year:

2016

Language:

english

File:

PDF, 872 KB

english, 2016

11

Enantioselective Synthesis of Sulfoxide using SBA-15 Supported Vanadia Catalyst: A Computational Elucidation using QM/MM Approach

Kaur, Navjot, Gupta, Shuchi, Goel, Neetu

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.93 MB

english, 2017

12

Theoretical study of adsorption of amino acids on graphene and BN sheet in gas and aqueous phase including empirical DFT Dispersion correction

Singla, Preeti, Riyaz, Mohd, Singhal, Sonal, Goel, Neetu

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.44 MB

english, 2016

13

ChemInform Abstract: A DFT Based Prediction of Gold Fullerene Au 92 Si 12 with the Aid of Silicon.

Gautam, Seema, Goel, Neetu, Dharamvir, Keya

Journal:

Year:

2014

File:

PDF, 13 KB

2014

14

AIP Conference Proceedings [AIP SOLID STATE PHYSICS, PROCEEDINGS OF THE 55TH DAE SOLID STATE PHYSICS SYMPOSIUM 2010 - Manipal, (India) (26–30 December 2010)] - Structural, Electronic and Optical Properties of Medium Sized Neutral and Cationic Li[sub n] Cluster (n = 2, 8 10 20, 30) by Density Functional Theory

Goel, Neetu, Gautam, Seema, Dharamvir, Keya, Garg, Alka B., Mittal, R., Mukhopadhyay, R.

Year:

2011

Language:

english

File:

PDF, 326 KB

english, 2011

15

Three in One Coronary Pathology: Finding the Culprit

Khanna, Roopali, Jaitan, Suman, Soni, Neetu, Goel, Pravin K.

Journal:

Journal of Cardiovascular Imaging

Year:

2018

File:

PDF, 2.77 MB

2018

16

Single Atom Catalysis using Chromium Embedded Divacant Graphene for Conversion of Dinitrogen to Ammonia

Riyaz, Mohd, Goel, Neetu

Journal:

Year:

2019

File:

PDF, 1.64 MB

2019

17

A rare case report of cutaneous endometriosis over arm diagnosed by fine needle aspiration cytology

Pandey, Neetu, Qayoom, Sumaira, Sagar, Mala, Goel, Madhu Mati

Journal:

Diagnostic Cytopathology

Year:

2018

Language:

english

File:

PDF, 531 KB

english, 2018

18

Theoretical study on adsorption and dissociation of NO2 molecules on BNNT surface

Singla, Preeti, Singhal, Sonal, Goel, Neetu

Journal:

Applied Surface Science

Year:

2013

Language:

english

File:

PDF, 775 KB

english, 2013

19

CO2 adsorption and activation over medium sized Cun (n=7, 13 and 19) clusters: A density functional study

Gautam, Seema, Dharamvir, Keya, Goel, Neetu

Journal:

Computational and Theoretical Chemistry

Year:

2013

Language:

english

File:

PDF, 1.55 MB

english, 2013

20

A DFT based investigation of NO oxidation by (CrO3)3 cluster

Kumari, Indu, Gupta, Shuchi, Goel, Neetu

Journal:

Computational and Theoretical Chemistry

Year:

2016

Language:

english

File:

PDF, 1.58 MB

english, 2016

21

Ozone–Water Interaction Revisited Through [(O3)m···(H2O)n] Clusters

Yadav, Sarita, Nawani, Shriya, Goel, Neetu

Journal:

Journal of Cluster Science

Year:

2017

Language:

english

File:

PDF, 1.73 MB

english, 2017

22

Graphene Modified Cu2O Nanostructures for the Reductive Transformation of Nitrophenols

Kapoor, Surbhi, Goel, Neetu, Singhal, Sonal

Journal:

Materials Today: Proceedings

Year:

2019

Language:

english

File:

PDF, 1.91 MB

english, 2019

23

Graphene Modified Cu2O Nanostructures for the Reductive Transformation of Nitrophenols

Kapoor, Surbhi, Goel, Neetu, Singhal, Sonal

Journal:

Materials Today: Proceedings

Year:

2019

File:

PDF, 1.91 MB

2019

24

Mechanistic Details and Conformational Behavior of Selective Peptide Linkage Facilitated by Au n Clusters

Yadav, Sarita, Springborg, Michael, Singhal, Sonal, Molayem, Mohammad, Goel, Neetu

Journal:

ChemistrySelect

Year:

2020

File:

PDF, 1.65 MB

2020

25

Mechanistic details of amino acid catalyzed two-component Mannich reaction: experimental study backed by density functional calculations

Rani, Dixita, Thakur, Lalita, Khera, Mayank, Goel, Neetu, Agarwal, Jyoti

Journal:

Year:

2019

Language:

english

File:

PDF, 1.91 MB

english, 2019

26

Functionalized magnetic nanomaterials for rapid and effective adsorptive removal of fluoroquinolones: Comprehensive experimental cum computational investigations

Malik, Rupal, Goyal, Ankita, Yadav, Sarita, Gupta, Nancy, Goel, Neetu, Kaushik, Anupama, Kumar, Vinod, Tikoo, K.B., Singhal, Sonal

Journal:

Journal of Hazardous Materials

Year:

2018

Language:

english

File:

PDF, 1.95 MB

english, 2018

27

IsoSeq analysis and functional annotation of the infratentorial ependymoma tumor tissue on PacBio RSII platform

Singh, Neetu, Sahu, Dinesh Kumar, Chowdhry, Rebecca, Mishra, Archana, Goel, Madhu Mati, Faheem, Mohd, Srivastava, Chhitij, Ojha, Bal Krishna, Gupta, Devendra Kumar, Kant, Ravi

Journal:

Year:

2016

Language:

english

File:

PDF, 1.08 MB

english, 2016

28

[IEEE 2017 Tenth International Conference on Contemporary Computing (IC3) - Noida, India (2017.8.10-2017.8.12)] 2017 Tenth International Conference on Contemporary Computing (IC3) - MSD-Apriori: Discovering borderline-rare items using association mining

Kesarwani, Shikhar, Goel, Astha, Sardana, Neetu

Year:

2017

Language:

english

File:

PDF, 763 KB

english, 2017

29

Understanding structure-activity relation in VxOy clusters of varied stoichiometry and sizes through conceptual density functional approach

Kaur, Navjot, Gupta, Shuchi, Goel, Neetu

Journal:

Journal of Molecular Modeling

Year:

2019

Language:

english

File:

PDF, 6.10 MB

english, 2019

30

A DFT based prediction of gold fullerene Au92Si12 with the aid of silicon

Gautam, Seema, Goel, Neetu, Dharamvir, Keya

Journal:

Year:

2014

Language:

english

File:

PDF, 605 KB

english, 2014

31

Single Atom Catalysis using Chromium Embedded Divacant Graphene for Conversion of Dinitrogen to Ammonia

Riyaz, Mohd, Goel, Neetu

Journal:

Year:

2019

Language:

english

File:

PDF, 1.64 MB

english, 2019

32

Spin Inversion Phenomenon and Two-State Reactivity Mechanism for Direct Benzene Hydroxylation by V 4 O 10 Cluster

Kaur, Navjot, Kumari, Indu, Gupta, Shuchi, Goel, Neetu

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 6.28 MB

english, 2016

33

Agmatine for combined treatment of epilepsy, depression and cognitive impairment in chronic epileptic animals

Singh, Tanveer, Bagga, Neetu, Kaur, Anureet, Kaur, Navjot, Gawande, Dinesh Yugraj, Goel, Rajesh Kumar

Journal:

Biomedicine & Pharmacotherapy

Year:

2017

Language:

english

File:

PDF, 1.13 MB

english, 2017

34

Visualizing the catalytic advancements in nickel ferrite via inclusion of bismuth for the removal of hazardous environmental pollutants

Kapoor, Surbhi, Goel, Neetu, Singhal, Sonal

Journal:

Water and Environment Journal

Year:

2020

File:

PDF, 14.59 MB

2020

35

Mononuclear Pseudostannatranes Possessing Unsymmetrical [4.4.3.0 1,5 ]Tridecane Cage: Experimental and Theoretical Aspects of Reverse Kocheshkov Reaction in Phenyl Pseudostannatrane

Kumar, Keshav, Srivastav, Neha, Khera, Mayank, Goel, Neetu, Singh, Raghubir, Kaur, Varinder

Journal:

Inorganic Chemistry

Year:

2020

File:

PDF, 4.00 MB

2020

36

DFT study of mechanism of cycloaddition of carbondioxide with tertiary-aziridine

Singh, Amritpal, Goel, Neetu

Journal:

Structural Chemistry

Year:

2014

Language:

english

File:

PDF, 1.33 MB

english, 2014

37

Structural Evolution and Stability of Hydrogenated Li n ( n = 1–30) Clusters: A Density Functional Study

Gautam, Seema, Dharamvir, Keya, Goel, Neetu

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.11 MB

english, 2011

38

Correction: Enantioselective synthesis of sulfoxide using an SBA-15 supported vanadia catalyst: a computational elucidation using a QM/MM approach

Kaur, Navjot, Gupta, Shuchi, Goel, Neetu

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.46 MB

english, 2018

39

AIP Conference Proceedings [American Institute of Physics REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE EVALUATION: Proceedings of the 35th Annual Review of Progress in Quantitative Nondestructive Evaluation - Chicago (Illionois) (20–25 July 2008)] - Comparison of Cluster Calculation with Different Software—The Case of Small Clusters

Goel, Neetu, Gautam, Seema, Priyanka,, Dharamvir, Keya

Year:

2009

Language:

english

File:

PDF, 207 KB

english, 2009

40

Morphologically Different Boron Nitride Nanomaterials as Efficient Antibiotic Carriers: Adsorption Isotherm and Kinetics Appraisal

Singla, Preeti, Yadav, Sarita, Goel, Neetu, Singhal, Sonal

Journal:

Analytical Chemistry Letters

Year:

2018

Language:

english

File:

PDF, 700 KB

english, 2018

41

What motivates medical students to select medical studies: a systematic literature review

Goel, Sonu, Angeli, Federica, Dhirar, Nonita, Singla, Neetu, Ruwaard, Dirk

Journal:

BMC Medical Education

Year:

2018

Language:

english

File:

PDF, 834 KB

english, 2018

42

Genotyping of hepatitis B virus isolates from Lahaul and Spiti district in Himachal Pradesh, India

Sharma, Brij, Katiyar, Harshita, Barall, Deepesh, Sharma, Neetu, Agnihotry, Shikha, Goel, Amit, Aggarwal, Rakesh

Journal:

Indian Journal of Gastroenterology

Year:

2018

Language:

english

File:

PDF, 398 KB

english, 2018

43

Qualitative as well as quantitative analysis of interactions present in chlorine and bromine substituted aromatic organic crystals: A DFT linked Crystal Explorer study

Khera, Mayank, Goel, Neetu

Journal:

Journal of Molecular Graphics and Modelling

Year:

2019

File:

PDF, 3.19 MB

2019

44

Correction to: Removal of fluoroquinolone from aqueous solution using graphene oxide: experimental and computational elucidation

Yadav, Sarita, Goel, Neetu, Kumar, Vinod, Tikoo, Kulbhushan, Singhal, Sonal

Journal:

Environmental Science and Pollution Research

Year:

2018

Language:

english

File:

PDF, 672 KB

english, 2018

45

Synthesis and spectral studies of some lanthanide(III) complexes with 4-[N-(p-dimethylaminobenzalidene)amino] antipyrine semicarbazone

K. Agarwal, Ram, Agarwal, Himanshu, Goel, Neetu, Sindhu, S.K.

Journal:

Bulletin of the Chemical Society of Ethiopia

Year:

2001

File:

PDF, 673 KB

2001

46

A QM/MM study to investigate selectivity of nanoporous graphene membrane for arsenate and chromate removal from water

Riyaz, Mohd, Goel, Neetu

Journal:

Chemical Physics Letters

Year:

2017

Language:

english

File:

PDF, 1.25 MB

english, 2017

47

Theoretical and experimental studies on solubility and reactivity behavior of lysergol, elymoclavine, and dihydrolysergol

Rohilla, Mehak, Goel, Neetu, Singh, Tej Vir, Venugopalan, P., Kumar, N. V. Suresh, Tewari, K.

Journal:

International Journal of Quantum Chemistry

Year:

2013

Language:

english

File:

PDF, 413 KB

english, 2013

48

Affinity of boron nitride nanomaterials towards antibiotics established by exhaustive experimental and theoretical investigations

Singla, Preeti, Goel, Neetu, Singhal, Sonal

Journal:

Chemical Engineering Journal

Year:

2016

Language:

english

File:

PDF, 1.55 MB

english, 2016

49

A QM/MM study on ethene and benzene oxidation using silica-supported chromium trioxide

Kumari, Indu, Kaur, Navjot, Gupta, Shuchi, Goel, Neetu

Journal:

Journal of Molecular Modeling

Year:

2019

Language:

english

File:

PDF, 1.87 MB

english, 2019

50

Enhanced catalytic performance of Cu/Cu2O nanoparticles via introduction of graphene as support for reduction of nitrophenols and ring opening of epoxides with amines established by experimental and theoretical investigations

Kapoor, Surbhi, Sheoran, Ankush, Riyaz, Mohd, Agarwal, Jyoti, Goel, Neetu, Singhal, Sonal

Journal:

Journal of Catalysis

Year:

2020

Language:

english

File:

PDF, 5.83 MB

english, 2020

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