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51

High sensitivity of graphdiyne nanoflake toward detection of phosgene, thiophosgene and phosogenoxime; a first-principles study

Khan, Sidra, Sajid, Hasnain, Ayub, Khurshid, Mahmood, Tariq

Journal:

Journal of Molecular Graphics and Modelling

Year:

2020

File:

PDF, 1.46 MB

2020

52

Theoretical insights into thermal cyclophanediene to dihydropyrene electrocyclic reactions; a comparative study of Woodward Hoffmann allowed and forbidden reactions

Saima, Bibi, Khan, Afsar, Nisa, Riffat Un, Mahmood, Tariq, Ayub, Khurshid

Journal:

Journal of Molecular Modeling

Year:

2016

Language:

english

File:

PDF, 1.27 MB

english, 2016

53

Impact of Firm Size on Earnings Management: A Study of Textile Sector of Pakistan

Ali, Usman, Noor, Muhammad, Khurshid, Muhammad Kashif, Mahmood, Akhtar

Journal:

SSRN Electronic Journal

Year:

2015

Language:

english

File:

PDF, 212 KB

english, 2015

54

Synthesis, crystal structures, computational studies and α-amylase inhibition of three novel 1,3,4-oxadiazole derivatives

Hamdani, Syeda Shamila, Khan, Bilal Ahmad, Ahmed, Muhammad Naeem, Hameed, Shahid, Akhter, Kulsoom, Ayub, Khurshid, Mahmood, Tariq

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 2.09 MB

english, 2019

55

Design of novel superalkali doped silicon carbide nanocages with giant nonlinear optical response

Ullah, Faizan, Kosar, Naveen, Arshad, Muhammad Nadeem, Gilani, Mazhar Amjad, Ayub, Khurshid, Mahmood, Tariq

Journal:

Optics & Laser Technology

Year:

2020

Language:

english

File:

PDF, 1.34 MB

english, 2020

56

Density functional theory study of palladium cluster adsorption on a graphene support

Hussain, Riaz, Saeed, Muhammad, Mehboob, Muhammad Yasir, Khan, Saif Ullah, Usman Khan, Muhammad, Adnan, Muhammad, Ahmed, Mahmood, Iqbal, Javed, Ayub, Khurshid

Journal:

Year:

2020

File:

PDF, 1.51 MB

2020

57

Effect of Vitamin A as a Neoadjuvant Agent in Chemotherapy and Photodynamic Therapy of Rhabdomyosarcoma Cells

Mahmood, R., Khurshid, A., Yousaf, M.S., Aalam, M., Salman, M., Ikram, M.

Journal:

Photodiagnosis and Photodynamic Therapy

Year:

2020

File:

PDF, 2.06 MB

2020

58

An accurate comparative theoretical study of the interaction of furan, pyrrole, and thiophene with various gaseous analytes

Sajid, Hasnain, Mahmood, Tariq, Ayub, Khurshid

Journal:

Journal of Molecular Modeling

Year:

2017

Language:

english

File:

PDF, 1.99 MB

english, 2017

59

Characterization of a Novel Enterovirus Serotype and an Enterovirus EV-B93 Isolated from Acute Flaccid Paralysis Patients

Shaukat, Shahzad, Angez, Mehar, Alam, Muhammad Masroor, Sharif, Salmaan, Khurshid, Adnan, Mahmood, Tariq, Zaidi, Syed Sohail Zahoor, Kapoor, Amit

Journal:

Year:

2013

Language:

english

File:

PDF, 930 KB

english, 2013

60

Facile synthesis of N- (4-bromophenyl)-1- (3-bromothiophen-2-yl)methanimine derivatives via Suzuki cross-coupling reaction: their characterization and DFT studies

Rizwan, Komal, Rasool, Nasir, Rehman, Ravya, Mahmood, Tariq, Ayub, Khurshid, Rasheed, Tahir, Ahmad, Gulraiz, Malik, Ayesha, Khan, Shakeel Ahmad, Akhtar, Muhammad Nadeem, Alitheen, Noorjahan Banu, Aziz

Journal:

Chemistry Central Journal

Year:

2018

Language:

english

File:

PDF, 1.47 MB

english, 2018

61

Sensor applications of polypyrrole for oxynitrogen analytes: a DFT study

Wasim, Fatima, Kosar, Naveen, Mahmood, Tariq, Ayub, Khurshid

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 1.98 MB

english, 2018

62

Molecular characterization of echovirus 13 uncovering high genetic diversity and identification of new genotypes in Pakistan

Shaukat, Shahzad, Angez, Mehar, Mahmood, Tariq, Alam, Muhammad Masroor, Sharif, Salmaan, Khurshid, Adnan, Rana, Muhammad Suleman, Zaidi, Syed Sohail Zahoor

Journal:

Infection, Genetics and Evolution

Year:

2017

Language:

english

File:

PDF, 890 KB

english, 2017

63

Benchmark study of structural and vibrational properties of scandium clusters

Sajjad, Saira, Maria,, Mahmood, Tariq, Ayub, Khurshid

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 550 KB

english, 2017

64

Role of dispersion corrected hybrid GGA class in accurately calculating the bond dissociation energy of carbon halogen bond: A benchmark study

Kosar, Naveen, Mahmood, Tariq, Ayub, Khurshid

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 2.92 MB

english, 2017

65

Alkaline Earth Metal Decorated Phosphide Nanoclusters for Potential applications as high performance NLO materials; A First Principle Study

Ullah, Faizan, Kosar, Naveen, Maria, Asghar Ali, Mahmood, Tariq, Ayub, Khurshid

Journal:

Physica E: Low-dimensional Systems and Nanostructures

Year:

2019

File:

PDF, 2.13 MB

2019

66

Surface functionalization of twisted graphene C32H15 and C104H52 derivatives with alkalis and superalkalis for NLO response; a DFT study

Kosar, Naveen, Ayub, Khurshid, Mahmood, Tariq

Journal:

Journal of Molecular Graphics and Modelling

Year:

2021

File:

PDF, 68 KB

2021

67

Dyotropic rearrangement of bridgehead substituents in closed dithienylethenes; conjugated verses non-conjugated analogues

Mahmood, Tariq, Arshad, Muhammad, Gilani, Mazhar Amjad, Iqbal, Zafar, Ayub, Khurshid

Journal:

Journal of Molecular Modeling

Year:

2015

Language:

english

File:

PDF, 1.54 MB

english, 2015

68

[IEEE 2015 Ninth International Conference on Complex, Intelligent, and Software Intensive Systems (CISIS) - Santa Catarina, Brazil (2015.7.8-2015.7.10)] 2015 Ninth International Conference on Complex, Intelligent, and Software Intensive Systems - Peak Load Shaving Model Based on Individual's Habit

Ashraf, Hifsa, Hassan, Ahmad, Khurshid, Usman, Mahmood, Anzar, Shaheen, Nusrat, Khan, Zahoor Ali, Qasim, Umar, Javaid, Nadeem

Year:

2015

Language:

english

File:

PDF, 331 KB

english, 2015

69

High sensitivity of polypyrrole sensor for uric acid over urea, acetamide and sulfonamide: A density functional theory study

Sajid, Hasnain, Mahmood, Tariq, Ayub, Khurshid

Journal:

Synthetic Metals

Year:

2018

Language:

english

File:

PDF, 1.06 MB

english, 2018

70

Efficient Synthesis of Novel Pyridine-Based Derivatives via Suzuki Cross-Coupling Reaction of Commercially Available 5-Bromo-2-methylpyridin-3-amine: Quantum Mechanical Investigations and Biological Activities

Ahmad, Gulraiz, Rasool, Nasir, Ikram, Hafiz, Gul Khan, Samreen, Mahmood, Tariq, Ayub, Khurshid, Zubair, Muhammad, Al-Zahrani, Eman, Ali Rana, Usman, Akhtar, Muhammad, Alitheen, Noorjahan

Journal:

Year:

2017

Language:

english

File:

PDF, 2.25 MB

english, 2017

71

Accurate theoretical method for homolytic cleavage of C-Sn bond: A benchmark approach

Kosar, Naveen, Ayub, Khurshid, Mahmood, Tariq

Journal:

Computational and Theoretical Chemistry

Year:

2018

Language:

english

File:

PDF, 1.14 MB

english, 2018

72

Superalkalis as a source of diffuse excess electrons in newly designed inorganic electrides with remarkable nonlinear response and deep ultraviolet transparency: A DFT study

Ullah, Faizan, Kosar, Naveen, Ayub, Khurshid, Mahmood, Tariq

Journal:

Applied Surface Science

Year:

2019

Language:

english

File:

PDF, 1.75 MB

english, 2019

73

[IEEE 2013 6th International Conference on Recent Advances in Space Technologies (RAST) - Istanbul, Turkey (2013.06.12-2013.06.14)] 2013 6th International Conference on Recent Advances in Space Technologies (RAST) - Design techniques for on-board software of nano-satellites

Mahmood, Rehan, Khurshid, Khurram, ul Isalm, Qamar

Year:

2013

Language:

english

File:

PDF, 763 KB

english, 2013

74

pH and Temperature Responsive Electrooxidation and Antioxidant Activity of Indole-3-Carbaldehyde

Subhan, Hanif, Ahmad, Khurshid, Lashin, Aref, Rana, Usman Ali, Abbasi, Rashda, Hussain, Hidayat, Mahmood, Ansar, Qureshi, Rumana, Kraatz, Heinz-Bernhard, Shah, Afzal

Journal:

Journal of The Electrochemical Society

Year:

2016

Language:

english

File:

PDF, 612 KB

english, 2016

75

Halides encapsulation in aluminum/boron phosphide nanoclusters: An effective strategy for high cell voltage in Na-ion battery

Kosar, Naveen, Asgar, Moneeba, Ayub, Khurshid, Mahmood, Tariq

Journal:

Materials Science in Semiconductor Processing

Year:

2019

File:

PDF, 1.70 MB

2019

76

Modification of Diamond Particles for Improved Dispersion in Liquid Phase

Ahmad, Mirza Nadeem, Zia, Khalid Mahmood, Nadeem, Sohail, Farooq, Tahir, Anjum, Muhammad Naveed, Shah, Asma Tufail, Khurshid, Shazia, Shehzad, Khurram, Zuber, Mohammad, Yang, Wantai

Journal:

Asian Journal of Chemistry

Year:

2013

Language:

english

File:

PDF, 373 KB

english, 2013

77

Highly selective acridinium based cyanine dyes for the detection of DNA base pairs (adenine, cytosine, guanine and thymine)

Sajid, Hasnain, Ayub, Khurshid, Arshad, Muhammad, Mahmood, Tariq

Journal:

Computational and Theoretical Chemistry

Year:

2019

File:

PDF, 557 KB

2019

78

Impact of lunar phase

Hanif, Moghees, Arif, Haseeb A., Khan, Haris, Khurshid, Adnan, Ahmad, Mahmood

Journal:

Internal Medicine Journal

Year:

2020

Language:

english

File:

PDF, 337 KB

english, 2020

79

DFT study of acceleration of electrocyclization in photochromes under radical cationic conditions: Comparison with recent experimental data

Mahmood, Tariq, Kosar, Naveen, Ayub, Khurshid

Journal:

Year:

2017

Language:

english

File:

PDF, 1.10 MB

english, 2017

80

Genetic Epidemiology reveals three chronic reservoir areas with recurrent population mobility challenging poliovirus eradication in Pakistan

Akhtar, Ribqa, Mahmood, Nayab, Alam, Muhammad Masroor, Naeem, Muhammad, Zaidi, Sohail Zahoor, Sharif, Salman, Khattak, Zainab, Arshad, Yasir, Khurshid, Adnan, Mujtaba, Ghulam, Rehman, Lubna, Angez, Me

Journal:

Clinical Infectious Diseases

Year:

2019

Language:

english

File:

PDF, 1.03 MB

english, 2019

81

An accurate cost effective DFT approach to study sensor behaviour of polypyrrole for nitrate ion in gas and aqueous phase

Waseem, Fatima, Mahmood, Tariq, Ayub, Khurshid

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.41 MB

english, 2016

82

Isolation, spectroscopic and density functional theory of two withanolide glycosides

Khan, Shahid Ali, Maher, Saima, Naheed, Nadra, Maria,, Mahmood, Tariq, Ayub, Khurshid, Farooq, Aliya, Khan, Sher Bahadar, Shah, Zarbad

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 2.88 MB

english, 2018

83

Halides encapsulation in aluminum/boron phosphide nanoclusters: An effective strategy for high cell voltage in Na-ion battery

Kosar, Naveen, Asgar, Moneeba, Ayub, Khurshid, Mahmood, Tariq

Journal:

Materials Science in Semiconductor Processing

Year:

2019

Language:

english

File:

PDF, 1.70 MB

english, 2019

84

Synergic effect of pore size engineering and an applied electric field on the controlled permeation of alkali metal atoms and ions across pristine and defect-containing h-BN sheets

Munsif, Sajida, Kosar, Naveen, Hashmi, Muhammad Ali, Mahmood, Tariq, Gilani, Mazhar Amjad, Ayub, Khurshid

Journal:

New Journal of Chemistry

Year:

2020

File:

PDF, 4.15 MB

2020

85

Towards Medical Data Interoperability Through Collaboration Of Healthcare Devices

Jaleel, Abdul, Mahmood, Tayyeb, Awais, Muhammad, Bano, Gulshan, Khurshid, Khaldoon Syed

Journal:

Year:

2020

File:

PDF, 6.91 MB

2020

86

Comparative investigation of sensor application of polypyrrole for gaseous analytes

Sajid, Hasnain, Mahmood, Tariq, Mahmood, Mian H.R., Ayub, Khurshid

Journal:

Journal of Physical Organic Chemistry

Year:

2019

Language:

english

File:

PDF, 1.30 MB

english, 2019

87

First-principles study for exploring the adsorption behavior of G-series nerve agents on graphdyine surface

Khan, Sidra, Yar, Muhammad, Kosar, Naveen, Ayub, Khurshid, Arshad, Muhammad, Zahid, Nauman, Mahmood, Tariq

Journal:

Computational and Theoretical Chemistry

Year:

2020

File:

PDF, 2.84 MB

2020

88

[IEEE 2013 6th International Conference on Recent Advances in Space Technologies (RAST) - Istanbul, Turkey (2013.06.12-2013.06.14)] 2013 6th International Conference on Recent Advances in Space Technologies (RAST) - Subsystem testing, integration and compliance of ICUBE-1

Mahmood, Rehan, Khurshid, Khurram, ul Isalm, Qamar

Year:

2013

Language:

english

File:

PDF, 1.12 MB

english, 2013

89

Synthesis, crystal structure, spectroscopic and density functional theory (DFT) study of N-[3-anthracen-9-yl-1-(4-bromo-phenyl)-allylidene]-N-benzenesulfonohydrazine

Arshad, Muhammad Nadeem, Asiri, Abdullah M., Alamry, Khalid A., Mahmood, Tariq, Gilani, Mazhar Amjad, Ayub, Khurshid, Birinji, Abdulhadi Salih

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2015

Language:

english

File:

PDF, 1.29 MB

english, 2015

90

Spectroscopic and density functional theory studies of 7-hydroxy-3′-methoxyisoflavone: A new isoflavone from the seeds of Indigofera heterantha (Wall)

Rahman, Taj Ur, Uddin, Ghias, Nisa, Riffat Un, Ludwig, Ralf, Liaqat, Wajiha, Mahmood, Tariq, Mohammad, Ghulam, Choudhary, M. Iqbal, Ayub, Khurshid

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2015

Language:

english

File:

PDF, 600 KB

english, 2015

91

Synthesis, characterization and density functional theory study of some new 2-anilinothiazoles

Babar, Ayesha, Khalid, Huma, Ayub, Khurshid, Saleem, Sarah, Waseem, Amir, Mahmood, Tariq, Munawar, Munawar Ali, Abbas, Ghulam, Khan, Ather Farooq

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 797 KB

english, 2014

92

[IEEE 2011 IEEE International Conference on Signal and Image Processing Applications (ICSIPA) - Kuala Lumpur, Malaysia (2011.11.16-2011.11.18)] 2011 IEEE International Conference on Signal and Image Processing Applications (ICSIPA) - Hand gesture based user interface for computer using a camera and projector

Shah, Syed Akhlaq Hussain, Ahmed, Ali, Mahmood, Iftekhar, Khurshid, Khurram

Year:

2011

Language:

english

File:

PDF, 1.70 MB

english, 2011

93

Mechanistic insight of TiCl 4 catalyzed formal [3 + 3] cyclization of 1,3-bis(silyl enol ethers) with 1,3-dielectrophiles

Nisa, Riffat Un, Maria, Maria, Wasim, Fatima, Mahmood, Tariq, Ludwig, Ralf, Ayub, Khurshid

Journal:

Year:

2015

Language:

english

File:

PDF, 1.60 MB

english, 2015

94

Density functional theory, molecular docking and bioassay studies on (S)-2-hydroxy-N-(2S,3S,4R,E)-1,3,4 trihydroxyicos-16-en-2-yl)tricosanamide

Rahman, Taj Ur, Aurang Zeb, Muhammad, Pu, De-Bing, Liaqat, Wajiha, Ayub, Khurshid, Xiao, Wei-Lie, Mahmood, Tariq, Sajid, Muhammad, Hussain, Riaz

Journal:

Year:

2019

Language:

english

File:

PDF, 1.21 MB

english, 2019

95

Outstanding NLO response of thermodynamically stable single and multiple alkaline earth metals doped C20 fullerene

Tahir, Hira, Kosar, Naveen, Ayub, Khurshid, Mahmood, Tariq

Journal:

Journal of Molecular Liquids

Year:

2020

Language:

english

File:

PDF, 1.27 MB

english, 2020

96

Label free characterization of soft tissue with optical polarization technique

Yousaf, Muhammad Sajid, Khurshid, Ahmat, Ahmad, Iftikhar, Mahmood, Rashid, Alam, Masroor, Bukhari, Sarwat Batool, Khan, Junaid Ahmed, Rafi, Muhammad, Ikram, Masroor

Journal:

Year:

2020

File:

PDF, 1.07 MB

2020

97

Thiobiuret based Ni(II) and Co(III) complexes: Synthesis, molecular structures and DFT studies

Sherzaman, Saira, Sadiq-ur-Rehman,, Ahmed, Muhammad Naeem, Khan, Bilal Ahmad, Mahmood, Tariq, Ayub, Khurshid, Tahir, Muhammad Nawaz

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 2.30 MB

english, 2017

98

Copper-doped Al12N12 nano-cages: potential candidates for nonlinear optical materials

Gilani, Mazhar Amjad, Tabassum, Sobia, Gul, Urooj, Mahmood, Tariq, Alharthi, Abdulrahman I., Alotaibi, Mshari A., Geesi, Mohammed, Sheikh, Rizwan, Ayub, Khurshid

Journal:

Applied Physics

Year:

2018

Language:

english

File:

PDF, 1.57 MB

english, 2018

99

Palladium(0) catalyzed Suzuki cross-coupling reaction of 2,5-dibromo-3-methylthiophene: selectivity, characterization, DFT studies and their biological evaluations

Rizwan, Komal, Zubair, Muhammad, Rasool, Nasir, Mahmood, Tariq, Ayub, Khurshid, Alitheen, Noorjahan Banu, Aziz, Muhammad Nazirul Mubin, Akhtar, Muhammad Nadeem, Nasim, Faiz-ul-Hassan, Bukhary, Snober

Journal:

Chemistry Central Journal

Year:

2018

Language:

english

File:

PDF, 1.38 MB

english, 2018

100

Isolation, characterization and DFT studies of epoxy ring containing new withanolides from Withania coagulans Dunal

Khan, Shahid Ali, Adhikari, Achyut, Ayub, Khurshid, Farooq, Aliya, Mahar, Saima, Qureshi, Muhammad Nasimullah, Rauf, Abdur, Khan, Sher Bahadar, Ludwig, Ralf, Mahmood, Tariq

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2019

Language:

english

File:

PDF, 1.17 MB

english, 2019

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