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Livres
Articles (85)
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Water Determines the Structure and Dynamics of Proteins

Bellissent-Funel, Marie-Claire, Hassanali, Ali, Havenith, Martina, Henchman, Richard, Pohl, Peter, Sterpone, Fabio, van der Spoel, David, Xu, Yao, Garcia, Angel E

Journal:

Chemical Reviews

Année:

2016

Langue:

english

Fichier:

PDF, 6.48 MB

english, 2016

The Fuzzy Quantum Proton in the Hydrogen Chloride Hydrates

Hassanali, Ali A., Cuny, Jérôme, Ceriotti, Michele, Pickard, Chris J., Parrinello, Michele

Journal:

Journal of the American Chemical Society

Année:

2012

Langue:

english

Fichier:

PDF, 4.45 MB

english, 2012

Hydration Dynamics and Time Scales of Coupled Water−Protein Fluctuations

Li, Tanping, Hassanali, Ali A., Kao, Ya-Ting, Zhong, Dongping, Singer, Sherwin J.

Journal:

Journal of the American Chemical Society

Année:

2007

Langue:

english

Fichier:

PDF, 1.58 MB

english, 2007

Protons and Hydroxide Ions in Aqueous Systems

Agmon, Noam, Bakker, Huib J., Campen, R. Kramer, Henchman, Richard H., Pohl, Peter, Roke, Sylvie, Thämer, Martin, Hassanali, Ali

Journal:

Chemical Reviews

Année:

2016

Langue:

english

Fichier:

PDF, 10.86 MB

english, 2016

[Society of Petroleum Engineers SPE/CIM International Conference on Horizontal Well Technology - (2000.11.6-2000.11.8)] Proceedings of SPE/CIM International Conference on Horizontal Well Technology - Successful Implementation of Shared Learnings and New Technology To Develop a Thin Oil Column With Horizontal Wells in the Mahogany Gas Field, Offshore Trinidad

Mackow, H., Jo-Ann, Ali-Nandalal, Hamid, Hassanali, Michael, Staines

Année:

2000

Langue:

english

Fichier:

PDF, 787 KB

english, 2000

Changes in the essential oil content and terpene composition of rosemary (Rosmarinus officinalis L.) by using plant biostimulants

FOROUTAN NIA, Amir, NAGHDI BADI, Hassanali, MEHRAFARIN, Ali, BAHMAN, Sanaz, SEIF SAHANDI, Mehdi

Journal:

Acta agriculturae Slovenica

Année:

2016

Langue:

english

Fichier:

PDF, 247 KB

english, 2016

Proton transfer through the water gossamer

Hassanali, Ali, Giberti, Federico, Cuny, Jérôme, Kühne, Thomas D., Parrinello, Michele

Journal:

Proceedings of the National Academy of Sciences

Année:

2013

Langue:

english

Fichier:

PDF, 1.36 MB

english, 2013

The Role of Quantum Effects on Structural and Electronic Fluctuations in Neat and Charged Water

Giberti, Federico, Hassanali, Ali A., Ceriotti, Michele, Parrinello, Michele

Journal:

Journal of Physical Chemistry B

Année:

2014

Langue:

english

Fichier:

PDF, 2.97 MB

english, 2014

Probing defects and correlations in the hydrogen-bond network of ab initio water.

Gasparotto, Piero, Hassanali, Ali A., Ceriotti, Michele

Journal:

Journal of Chemical Theory and Computation

Année:

2016

Langue:

english

Fichier:

PDF, 7.60 MB

english, 2016

The excess proton at the air-water interface: The role of instantaneous liquid interfaces

Giberti, Federico, Hassanali, Ali A.

Journal:

The Journal of Chemical Physics

Année:

2017

Langue:

english

Fichier:

PDF, 10.07 MB

english, 2017

Changes in the essential oil content and composition of Thymus daenensis Celak. under different drying methods

Dehghani Mashkani, Mohammad Reza, Larijani, Kambiz, Mehrafarin, Ali, Naghdi Badi, Hassanali

Journal:

Industrial Crops and Products

Année:

2018

Langue:

english

Fichier:

PDF, 211 KB

english, 2018

Growing materials science in Africa – the case of the African School for Electronic Structure Methods and Applications (ASESMA)

Amolo, George, Chetty, Nithaya, Hassanali, Ali, Joubert, Daniel, Martin, Richard, Scandolo, Sandro

Journal:

MRS Advances

Année:

2018

Langue:

english

Fichier:

PDF, 1.28 MB

english, 2018

Network approach towards understanding the crazing in glassy amorphous polymers

Venkatesan, Sudarkodi, Vivek-Ananth, R P, Sreejith, R P, Mangalapandi, Pattulingam, Hassanali, Ali A, Samal, Areejit

Journal:

Journal of Statistical Mechanics Theory and Experiment

Année:

2018

Langue:

english

Fichier:

PDF, 3.03 MB

english, 2018

Assessment of relationship between the use of cell phone and social networks and sleep quality in students of medical sciences: A cross-sectional study

Saman, Javad Amini, Valinejadi, Ali, Mohammadi, Saeed, Karimpor, Hassanali, Mirzaei, Maryam, Kawyannejad, Rasool

Journal:

Interventional Medicine and Applied Science

Année:

2019

Langue:

english

Fichier:

PDF, 88 KB

english, 2019

The phytochemical and morphological diversity analysis of Ziziphus nummularia (Burm.f.) Wight & Arn. populations in South of Iran

ZANDIFAR, Kourosh, NAGHID BADI, Hassanali, MEHRAFARIN, Ali, NOHOOJI, Majid G.

Journal:

Notulae Botanicae Horti Agrobotanici Cluj-Napoca

Année:

2020

Fichier:

PDF, 5.11 MB

2020

Volatile constituents of the flowerheads of three Echinacea species cultivated in Iran

Mohammad Hossein Mirjalili, Peyman Salehi, Hassanali Naghdi Badi, Ali Sonboli

Journal:

Flavour and Fragrance Journal

Année:

2006

Langue:

english

Fichier:

PDF, 78 KB

english, 2006

Static and dynamic properties of the water/amorphous silica interface: a model for the undissociated surface

Ali A. Hassanali, Sherwin J. Singer

Journal:

Scientific Modeling and Simulation SMNS

Année:

2007

Langue:

english

Fichier:

PDF, 779 KB

english, 2007

Effects of shifting to crowded or solitary conditions on pheromone release and morphometrics of the desert locust, Schistocerca gregaria (Forskål) (Orthoptera: Acrididae)

Arop Leek Deng, Baldwyn Torto, Ahmed Hassanali, E.E. Ali

Journal:

Journal of Insect Physiology

Année:

1996

Langue:

english

Fichier:

PDF, 688 KB

english, 1996

A highly efficient and reusable heterogeneous catalyst for the one-pot synthesis of tetrasubstituted imidazoles

Ali Mohammadi, Hossein Keshvari, Reza Sandaroos, Behrooz Maleki, Hamed Rouhi, Hassanali Moradi, Zeinalabedin Sepehr, Saman Damavandi

Journal:

Applied Catalysis A: General

Année:

2012

Langue:

english

Fichier:

PDF, 257 KB

english, 2012

Effects of spacing and harvesting time on herbage yield and quality/quantity of oil in thyme, Thymus vulgaris L.

Hassanali Naghdi Badi, Darab Yazdani, Sajed Mohammad Ali, Fatemeh Nazari

Journal:

Industrial Crops and Products

Année:

2004

Langue:

english

Fichier:

PDF, 66 KB

english, 2004

Carbohydrate Intake and Overweight and Obesity among Healthy Adults

Anwar T. Merchant, Hassanali Vatanparast, Shahzaib Barlas, Mahshid Dehghan, Syed Mahboob Ali Shah, Lawrence De Koning, Susan E. Steck

Journal:

Journal of the American Dietetic Association

Année:

2009

Langue:

english

Fichier:

PDF, 439 KB

english, 2009

The Dissociated Amorphous Silica Surface: Model Development and Evaluation

Hassanali, Ali A., Zhang, Hui, Knight, Chris, Shin, Yun Kyung, Singer, Sherwin J.

Journal:

Journal of Chemical Theory and Computation

Année:

2010

Langue:

english

Fichier:

PDF, 3.14 MB

english, 2010

Psyllium decreased serum glucose and glycosylated hemoglobin significantly in diabetic outpatients

Seyed Ali Ziai, Bagher Larijani, Shahin Akhoondzadeh, Hossein Fakhrzadeh, Arezoo Dastpak, Fatemeh Bandarian, Afsaneh Rezai, Hassanali Naghdi Badi, Tara Emami

Journal:

Journal of Ethnopharmacology

Année:

2005

Langue:

english

Fichier:

PDF, 155 KB

english, 2005

Evaluation of allicin content and botanical traits in Iranian garlic (Allium sativum L.) ecotypes

Kambiz Baghalian, Seyed Ali Ziai, Mohammad Reza Naghavi, Hassanali Naghdi Badi, Ahmad Khalighi

Journal:

Scientia Horticulturae

Année:

2005

Langue:

english

Fichier:

PDF, 235 KB

english, 2005

Post-planting evaluation of morphological characters and allicin content in Iranian garlic (Allium sativum L.) ecotypes

Kambiz Baghalian, Mohammad Reza Naghavi, Seyed Ali Ziai, Hassanali Naghdi Badi

Journal:

Scientia Horticulturae

Année:

2006

Langue:

english

Fichier:

PDF, 160 KB

english, 2006

Model for the Water−Amorphous Silica Interface: The Undissociated Surface

Hassanali, Ali A., Singer, Sherwin J.

Journal:

Journal of Physical Chemistry B

Année:

2007

Langue:

english

Fichier:

PDF, 642 KB

english, 2007

A Molecular Dynamics Study of Lys-Trp-Lys: Structure and Dynamics in Solution Following Photoexcitation

Hassanali, Ali A., Li, Tanping, Zhong, Dongping, Singer, Sherwin J.

Journal:

Journal of Physical Chemistry B

Année:

2006

Langue:

english

Fichier:

PDF, 567 KB

english, 2006

A Realistic Model For The Water-amorphous Silica Interface: Insights Into The Electrical Double Layer And Bioengineering Applications

Hassanali, Ali, Zhang, Hui, Shin, Yun Kyung, Knight, Chris, Singer, Sherwin J.

Journal:

Biophysical Journal

Année:

2009

Langue:

english

Fichier:

PDF, 89 KB

english, 2009

An AIMD Study of CPD Repair Mechanism in Water: Role of Solvent in Ring Splitting

Hassanali, Ali A., Zhong, Dongping, Singer, Sherwin J.

Journal:

Journal of Physical Chemistry B

Année:

2011

Langue:

english

Fichier:

PDF, 4.37 MB

english, 2011

Origin of Slow Relaxation Following Photoexcitation of W7 in Myoglobin and the Dynamics of Its Hydration Layer †

Li, Tanping, Hassanali, Ali A., Singer, Sherwin J.

Journal:

Journal of Physical Chemistry B

Année:

2008

Langue:

english

Fichier:

PDF, 686 KB

english, 2008

Molecular Mechanisms in the Repair of the Cyclobutane Dimer

Hassanali, Ali, Zhong, Dongping, Singer, Sherwin

Journal:

Biophysical Journal

Année:

2009

Langue:

english

Fichier:

PDF, 98 KB

english, 2009

The role of the umbrella inversion mode in proton diffusion

Hassanali, Ali A., Giberti, Federico, Sosso, Gabriele C., Parrinello, Michele

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 1.22 MB

english, 2014

Hydration Dynamics As Revealed By The Fluorescence Stokes Shift: The Origin Of Slow Hydration Dynamics And Breakdown Of Linear Response

Li, Tanping, Hassanali, Ali A., Zhong, Dongping, Singer, Sherwin J.

Journal:

Biophysical Journal

Année:

2009

Langue:

english

Fichier:

PDF, 41 KB

english, 2009

Ultrafast Dynamics of Nonequilibrium Electron Transfer in Photoinduced Redox Cycle: Solvent Mediation and Conformation Flexibility

Kao, Ya-Ting, Guo, Xunmin, Yang, Yi, Liu, Zheyun, Hassanali, Ali, Song, Qin-Hua, Wang, Lijuan, Zhong, Dongping

Journal:

Journal of Physical Chemistry B

Année:

2012

Langue:

english

Fichier:

PDF, 3.69 MB

english, 2012

An AIMD Study of the CPD Repair Mechanism in Water: Reaction Free Energy Surface and Mechanistic Implications

Hassanali, Ali A., Zhong, Dongping, Singer, Sherwin J.

Journal:

Journal of Physical Chemistry B

Année:

2011

Langue:

english

Fichier:

PDF, 4.80 MB

english, 2011

Anomalous water diffusion in salt solutions

Ding, Yun, Hassanali, Ali A., Parrinello, Michele

Journal:

Proceedings of the National Academy of Sciences

Année:

2014

Langue:

english

Fichier:

PDF, 1.17 MB

english, 2014

The water–amorphous silica interface: Analysis of the Stern layer and surface conduction

Zhang, Hui, Hassanali, Ali A., Shin, Yun Kyung, Knight, Chris, Singer, Sherwin J.

Journal:

The Journal of Chemical Physics

Année:

2011

Langue:

english

Fichier:

PDF, 811 KB

english, 2011

Ab Initio Molecular Dynamics Study of the Mechanism of Proton Recombination with a Weak Base

Cuny, Jérôme, Hassanali, Ali A.

Journal:

Journal of Physical Chemistry B

Année:

2014

Langue:

english

Fichier:

PDF, 3.19 MB

english, 2014

Unveiling the Janus-Like Properties of OH –

Crespo, Yanier, Hassanali, Ali

Journal:

The Journal of Physical Chemistry Letters

Année:

2015

Langue:

english

Fichier:

PDF, 1.48 MB

english, 2015

DNA Binding to the Silica Surface

Shi, Bobo, Shin, Yun Kyung, Hassanali, Ali A., Singer, Sherwin J.

Journal:

Journal of Physical Chemistry B

Année:

2015

Langue:

english

Fichier:

PDF, 4.58 MB

english, 2015

Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations

Kessler, Jan, Elgabarty, Hossam, Spura, Thomas, Karhan, Kristof, Partovi-Azar, Pouya, Hassanali, Ali A., Kühne, Thomas D.

Journal:

Journal of Physical Chemistry B

Année:

2015

Langue:

english

Fichier:

PDF, 2.40 MB

english, 2015

Ab-initio Quality NMR Parameters in Solid-State Materials using a High-Dimensional Neural-Network Representation

Cuny, Jerome, Xie, Yu, Pickard, Chris J., Hassanali, Ali A.

Journal:

Journal of Chemical Theory and Computation

Année:

2016

Langue:

english

Fichier:

PDF, 2.61 MB

english, 2016

Proton transfer and structure-specific fluorescence in hydrogen bond-rich protein structures

Pinotsi, Dorothea, Grisanti, Luca, Mahou, Pierre, Gebauer, Ralph, Kaminski, Clemens F., Hassanali, Ali A., Kaminski Schierle, Gabriele S.

Journal:

Journal of the American Chemical Society

Année:

2016

Langue:

english

Fichier:

PDF, 5.13 MB

english, 2016

On the recombination of hydronium and hydroxide ions in water

Ali Hassanali, Meher K. Prakash, Hagai Eshet and Michele Parrinello

Journal:

Proceedings of the National Academy of Sciences

Année:

2011

Langue:

english

Fichier:

PDF, 1.60 MB

english, 2011

Essential oil composition of Hyssop ( Hyssopus officinalis L.) under salt stress at flowering stage

Jahantigh, Omolbanin, Najafi, Farzaneh, Naghdi Badi, Hassanali, Khavari-Nejad, Ramazan Ali, Sanjarian, Forough

Journal:

Journal of Essential Oil Research

Année:

2016

Langue:

english

Fichier:

PDF, 861 KB

english, 2016

Synthesis of novel 3-substituted-5H-benzo[5,6][1, 4]thiazino[3,2-e][1,2,4]triazines and their 15-lipoxygenase inhibitory activity

Mohammadi, Ali, Eshghi, Hossein, Bakavoli, Mehdi, Hadizadeh, Farzin, Moradi, Hassanali

Journal:

Journal of the Iranian Chemical Society

Année:

2016

Langue:

english

Fichier:

PDF, 972 KB

english, 2016

Role of Quantum Vibrations on the Structural, Electronic, and Optical Properties of 9-Methylguanine

Law, Yu Kay, Hassanali, Ali A.

Journal:

Journal of Physical Chemistry A

Année:

2015

Langue:

english

Fichier:

PDF, 1.61 MB

english, 2015

[Society of Petroleum Engineers SPE/CIM International Conference on Horizontal Well Technology - Calgary, Alberta, Canada (2000-11-06)] SPE/CIM International Conference on Horizontal Well Technology - Successful Implementation of Shared Learnings and New Technology To Develop a Thin Oil Column With Horizontal Wells in the Mahogany Gas Field, Offshore Trinidad

Mackow, H. Michael, Ali-Nandalal, Jo-Ann, Hassanali, Hamid, Staines, Michael

Langue:

english

Fichier:

PDF, 787 KB

english

ChemInform Abstract: Protons and Hydroxide Ions in Aqueous Systems

Agmon, Noam, Bakker, Huib J., Campen, R. Kramer, Henchman, Richard H., Pohl, Peter, Roke, Sylvie, Thamer, Martin, Hassanali, Ali

Journal:

ChemInform

Année:

2016

Fichier:

PDF, 16 KB

2016

On the Role of Nonspherical Cavities in Short Length-Scale Density Fluctuations in Water

Sosso, Gabriele Cesare, Caravati, Sebastiano, Rotskoff, Grant, Vaikuntanathan, Suriyanarayan, Hassanali, Ali

Journal:

Journal of Physical Chemistry A

Année:

2017

Langue:

english

Fichier:

PDF, 2.47 MB

english, 2017