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Muhammad Iqbal: Essays on the Reconstruction of Modern Muslim Thought

1, 2015

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The Response of Two Contrasting Limestone Grasslands to Simulated Climate Change

Science (American Association for the Advancement of Science), 2000-08, Vol.289 (5480), p.762-765

2000

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Can the DFT-D method describe the full range of noncovalent interactions found in large biomolecules?

Physical chemistry chemical physics : PCCP, 2007-01, Vol.9 (4), p.448-451

2007

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Quantum chemical approaches: semiempirical molecular orbital and hybrid quantum mechanical/molecular mechanical techniques

Current pharmaceutical design, 2014-01, Vol.20 (20), p.3293-3302

2014

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Low temperature CVD growth of PbS films on plastic substrates

Chemical communications (Cambridge, England), 2011-01, Vol.47 (7), p.1991-1993

2011

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Effects of recombinant LH treatment on folliculogenesis and responsiveness to FSH stimulation

Human reproduction (Oxford), 2008-02, Vol.23 (2), p.421-426

2008

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Assessment of QM/MM Scoring Functions for Molecular Docking to HIV-1 Protease

Journal of Chemical Information and Modeling, 2009-04, Vol.49 (4), p.913-924

2009

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Enzyme‐Activated Surfactants for Dispersion of Carbon Nanotubes

Small (Weinheim an der Bergstrasse, Germany), 2009-03, Vol.5 (5), p.587-590

2009

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The origin of the conformational preference of N,N'-diaryl-N,N'-dimethyl ureas

Physical chemistry chemical physics : PCCP, 2010-01, Vol.12 (45), p.15056-15064

2010

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Density Functional and Semiempirical Molecular Orbital Methods Including Dispersion Corrections for the Accurate Description of Noncovalent Interactions Involving Sulfur-Containing Molecules

Journal of chemical theory and computation, 2007-09, Vol.3 (5), p.1656-1664

2007

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QM/MM studies of Ni-Fe hydrogenases : the effect of enzyme environment on the structure and energies of the inactive and active states

Physical chemistry chemical physics : PCCP, 2008-01, Vol.10 (29), p.4249-4257

2008

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Accurate Prediction of Adsorption Energies on Graphene, Using a Dispersion-Corrected Semiempirical Method Including Solvation

Journal of chemical information and modeling, 2014-08, Vol.54 (8), p.2255-2260

2014

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Mechanism of Nitrite Reduction at T2Cu Centers: Electronic Structure Calculations of Catalysis by Copper Nitrite Reductase and by Synthetic Model Compounds

The journal of physical chemistry. B, 2007-05, Vol.111 (19), p.5511-5517

2007

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Initial Studies Directed toward the Rational Design of Aqueous Graphene Dispersants

ACS omega, 2019-01, Vol.4 (1), p.1969-1981

2019

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Interplay of Structure and Reactivity in a Most Unusual Furan Diels-Alder Reaction

Journal of the American Chemical Society, 2006-10, Vol.128 (40), p.13130-13141

2006

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Semi-empirical molecular orbital methods including dispersion corrections for the accurate prediction of the full range of intermolecular interactions in biomolecules

Physical chemistry chemical physics : PCCP, 2007-01, Vol.9 (19), p.2362-2370

2007

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Lithium Choreography Determines Contrasting Stereochemical Outcomes of Aryl Migrations in Benzylic Carbamates, Ureas and Thiocarbamates

European journal of organic chemistry, 2015-02, Vol.2015 (5), p.953-959

2015

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What is the initiation step of the Grubbs-Hoveyda olefin metathesis catalyst?

Chemical communications (Cambridge, England), 2011-05, Vol.47 (19), p.5428-5430

2011

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Atomic Resolution Crystal Structures, EXAFS, and Quantum Chemical Studies of Rusticyanin and Its Two Mutants Provide Insight into Its Unusual Properties

Biochemistry (Easton), 2006-03, Vol.45 (9), p.2927-2939

2006

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An analysis of reaction pathways for proton tunnelling in methylamine dehydrogenase

Philosophical transactions of the Royal Society of London. Series B. Biological sciences, 2006-08, Vol.361 (1472), p.1387-1398

2006

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Active site structures and the redox properties of blue copper proteins: atomic resolution structure of azurin II and electronic structure calculations of azurin, plastocyanin and stellacyanin

Dalton transactions : an international journal of inorganic chemistry, 2006-01 (25), p.3067-3076

2006

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The structure and interaction energies of the weak complexes of CHClF2 and CHF3 with HCCH: a test of density functional theory methods

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (1), p.4388-4392

2011

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Olefin Metathesis by Grubbs–Hoveyda Complexes: Computational and Experimental Studies of the Mechanism and Substrate-Dependent Kinetics

ACS catalysis, 2013-09, Vol.3 (9), p.1929-1939

2013

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Master equation methods for multiple well systems: application to the 1-,2-pentyl system

Physical chemistry chemical physics : PCCP, 2007-08, Vol.9 (31), p.4085-4097

2007

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Muhammad Iqbal: Essays on the Reconstruction of Modern Muslim Thought

The Response of Two Contrasting Limestone Grasslands to Simulated Climate Change

Can the DFT-D method describe the full range of noncovalent interactions found in large biomolecules?

Quantum chemical approaches: semiempirical molecular orbital and hybrid quantum mechanical/molecular mechanical techniques

Low temperature CVD growth of PbS films on plastic substrates

Effects of recombinant LH treatment on folliculogenesis and responsiveness to FSH stimulation

Assessment of QM/MM Scoring Functions for Molecular Docking to HIV-1 Protease

Enzyme‐Activated Surfactants for Dispersion of Carbon Nanotubes

The origin of the conformational preference of N,N'-diaryl-N,N'-dimethyl ureas

Density Functional and Semiempirical Molecular Orbital Methods Including Dispersion Corrections for the Accurate Description of Noncovalent Interactions Involving Sulfur-Containing Molecules

QM/MM studies of Ni-Fe hydrogenases : the effect of enzyme environment on the structure and energies of the inactive and active states

Accurate Prediction of Adsorption Energies on Graphene, Using a Dispersion-Corrected Semiempirical Method Including Solvation

Mechanism of Nitrite Reduction at T2Cu Centers: Electronic Structure Calculations of Catalysis by Copper Nitrite Reductase and by Synthetic Model Compounds

Initial Studies Directed toward the Rational Design of Aqueous Graphene Dispersants

Interplay of Structure and Reactivity in a Most Unusual Furan Diels-Alder Reaction

Semi-empirical molecular orbital methods including dispersion corrections for the accurate prediction of the full range of intermolecular interactions in biomolecules

Lithium Choreography Determines Contrasting Stereochemical Outcomes of Aryl Migrations in Benzylic Carbamates, Ureas and Thiocarbamates

What is the initiation step of the Grubbs-Hoveyda olefin metathesis catalyst?

Integrated Screening Validates Primary Axes of Specialisation in Plants

Atomic Resolution Crystal Structures, EXAFS, and Quantum Chemical Studies of Rusticyanin and Its Two Mutants Provide Insight into Its Unusual Properties

An analysis of reaction pathways for proton tunnelling in methylamine dehydrogenase

Active site structures and the redox properties of blue copper proteins: atomic resolution structure of azurin II and electronic structure calculations of azurin, plastocyanin and stellacyanin

The structure and interaction energies of the weak complexes of CHClF2 and CHF3 with HCCH: a test of density functional theory methods

Olefin Metathesis by Grubbs–Hoveyda Complexes: Computational and Experimental Studies of the Mechanism and Substrate-Dependent Kinetics

Master equation methods for multiple well systems: application to the 1-,2-pentyl system

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