Skip to content

Home Search Authors Pakistan News Saved

SciRah

SciRah does not host or store research papers. Results come live from free, official scholarly APIs, and every paper links back to its original source.

Data sources

OpenAlex
Semantic Scholar
Crossref
CORE
arXiv
PubMed

Privacy policy Terms of service

H. Marques · SciRah

Researcher profile · Semantic Scholar

H. Marques

Share profile

H. Marques — researcher profile on SciRah

h-index: 33
Works: 175
Citations: 4,317

Most-cited papers

Speciation and structure of ferriprotoporphyrin IX in aqueous solution: spectroscopic and diffusion measurements demonstrate dimerization, but not μ-oxo dimer formation
K. D. de Villiers, C. Kaschula, T. Egan, H. Marques
2006JBIC Journal of Biological Inorganic Chemistry145 citations
Semantic Scholar
Halogen Bonding: A Halogen-Centered Noncovalent Interaction Yet to Be Understood
Pradeep R. Varadwaj, Arpita Varadwaj, H. Marques
2019Inorganics135 citations Open access
Semantic Scholar
Significance of hydrogen bonding and other noncovalent interactions in determining octahedral tilting in the CH3NH3PbI3 hybrid organic-inorganic halide perovskite solar cell semiconductor
Pradeep R. Varadwaj, Arpita Varadwaj, H. Marques, K. Yamashita
2019Scientific Reports132 citations Open access
Semantic Scholar
The crystal structure of halofantrine-ferriprotoporphyrin IX and the mechanism of action of arylmethanol antimalarials.
K. D. de Villiers, H. Marques, T. Egan
2008Journal of Inorganic Biochemistry91 citations
Semantic Scholar
Insights into porphyrin chemistry provided by the microperoxidases, the haempeptides derived from cytochrome c.
H. Marques
2007Dalton Transactions90 citations
Semantic Scholar
Is the Fluorine in Molecules Dispersive? Is Molecular Electrostatic Potential a Valid Property to Explore Fluorine-Centered Non-Covalent Interactions?
Arpita Varadwaj, H. Marques, Pradeep R. Varadwaj
2019Molecules84 citations Open access
Semantic Scholar
The physical chemistry of coordinated aqua-, ammine-, and mixed-ligand Co2+ complexes: DFT studies on the structure, energetics, and topological properties of the electron density.
Pradeep R. Varadwaj, H. Marques
2010Physical Chemistry, Chemical Physics - PCCP74 citations
Semantic Scholar
Synthesis of copper and zinc 2-(pyridin-2-yl)imidazo[1,2-a]pyridine complexes and their potential anticancer activity.
Jean Dam, Zeenat Ismail, T. Kurebwa, Nadia Gangat +5 more
2017European journal of medicinal chemistry68 citations
Semantic Scholar
The Cs2AgRhCl6 Halide Double Perovskite: A Dynamically Stable Lead-Free Transition-Metal Driven Semiconducting Material for Optoelectronics
Pradeep R. Varadwaj, H. Marques
2020Frontiers in Chemistry65 citations Open access
Semantic Scholar
DFT-UX3LYP studies on the coordination chemistry of Ni2+. Part 1: Six coordinate [Ni(NH3)n(H2O)(6-n)]2+ complexes.
Pradeep R. Varadwaj, I. Cukrowski, H. Marques
2008Journal of Physical Chemistry A61 citations
Semantic Scholar
Can Combined Electrostatic and Polarization Effects Alone Explain the F···F Negative-Negative Bonding in Simple Fluoro-Substituted Benzene Derivatives? A First-Principles Perspective
Pradeep R. Varadwaj, Arpita Varadwaj, H. Marques, K. Yamashita
2018De Computis48 citations Open access
Semantic Scholar
DFT-B3LYP, NPA-, and QTAIM-based study of the physical properties of [M(II)(H2O)2(15-crown-5)] (M = Mn, Fe, Co, Ni, Cu, Zn) complexes.
Pradeep R. Varadwaj, Arpita Varadwaj, H. Marques
2011Journal of Physical Chemistry A47 citations
Semantic Scholar
Definition of the Pnictogen Bond: A Perspective
Arpita Varadwaj, Pradeep R. Varadwaj, H. Marques, K. Yamashita
2022Inorganics43 citations Open access
Semantic Scholar
Revealing Factors Influencing the Fluorine-Centered Non-Covalent Interactions in Some Fluorine-Substituted Molecular Complexes: Insights from First-Principles Studies.
Arpita Varadwaj, Pradeep R. Varadwaj, H. Marques, K. Yamashita
2018ChemPhysChem39 citations
Semantic Scholar
The physical chemistry of [M(H2O)4(NO3)2] (M = Mn2+, Co2+, Ni2+, Cu2+, Zn2+) complexes: computational studies of their structure, energetics and the topological properties of the electron density
Pradeep R. Varadwaj, H. Marques
201039 citations
Semantic Scholar
Probing the nature of the Co(III) ion in cobalamins: a comparison of the reaction of aquacobalamin (vitamin B12a) and aqua-10-chlorocobalamin with some anionic and N-donor ligands.
L. Knapton, H. Marques
2005Dalton Transactions38 citations
Semantic Scholar
Conformational analysis of 18-azacrown-6 and its bonding with late first transition series divalent metals: insight from DFT combined with NPA and QTAIM analyses.
Pradeep R. Varadwaj, Arpita Varadwaj, G. Peslherbe, H. Marques
2011Journal of Physical Chemistry A37 citations
Semantic Scholar
Halogen in materials design: Revealing the nature of hydrogen bonding and other non-covalent interactions in the polymorphic transformations of methylammonium lead tribromide perovskite
Arpita Varadwaj, Pradeep R. Varadwaj, H. Marques, K. Yamashita
2018Materials Today Chemistry36 citations Open access
Semantic Scholar
The Phosphorus Bond, or the Phosphorus-Centered Pnictogen Bond: The Covalently Bound Phosphorus Atom in Molecular Entities and Crystals as a Pnictogen Bond Donor
Pradeep R. Varadwaj, Arpita Varadwaj, H. Marques, K. Yamashita
2022Molecules34 citations Open access
Semantic Scholar
The Pnictogen Bond, Together with Other Non-Covalent Interactions, in the Rational Design of One-, Two- and Three-Dimensional Organic-Inorganic Hybrid Metal Halide Perovskite Semiconducting Materials, and Beyond
Arpita Varadwaj, Pradeep R. Varadwaj, H. Marques, K. Yamashita
2022International Journal of Molecular Sciences33 citations Open access
Semantic Scholar
The Nitrogen Bond, or the Nitrogen-Centered Pnictogen Bond: The Covalently Bound Nitrogen Atom in Molecular Entities and Crystals as a Pnictogen Bond Donor
Pradeep R. Varadwaj, Arpita Varadwaj, H. Marques, K. Yamashita
2022Compounds32 citations Open access
Semantic Scholar
Probing the nature of the Co(III) ion in corrins: a comparison of the thermodynamics and kinetics of the ligand substitution reactions of aquacyanocobyrinic acid heptamethyl ester and stable yellow aquacyanocobyrinic acid heptamethyl ester.
S. M. Chemaly, M. Florczak, H. Dirr, H. Marques
2011Inorganic Chemistry31 citations
Semantic Scholar
Modelling the interaction of several bisphosphonates with hydroxyapatite using the generalised AMBER force field
Janine M. Robinson, I. Cukrowski, H. Marques
200630 citations
Semantic Scholar
Phthalocyanine-silver nanoparticle structures for plasmon-enhanced dye-sensitized solar cells
R. Ghadari, Alireza Sabri, Paria‐Sadat Saei, Fan-Tai Kong +1 more
202028 citations
Semantic Scholar
Physical and optoelectronic features of lead-free A2AgRhBr6 (A = Cs, Rb, K, Na, Li) with halide double perovskite composition
Pradeep R. Varadwaj, H. Marques
202027 citations
Semantic Scholar
The chalcogen bond: can it be formed by oxygen?
Pradeep R. Varadwaj, Arpita Varadwaj, H. Marques, P. MacDougall
2019Physical Chemistry, Chemical Physics - PCCP27 citations
Semantic Scholar
The Stibium Bond or the Antimony-Centered Pnictogen Bond: The Covalently Bound Antimony Atom in Molecular Entities in Crystal Lattices as a Pnictogen Bond Donor
Arpita Varadwaj, Pradeep R. Varadwaj, H. Marques, K. Yamashita
2022International Journal of Molecular Sciences26 citations Open access
Semantic Scholar
Does Chlorine in CH3Cl Behave as a Genuine Halogen Bond Donor?
Pradeep R. Varadwaj, Arpita Varadwaj, H. Marques
2020Crystals24 citations Open access
Semantic Scholar
A DFT assessment of some physical properties of iodine-centered halogen bonding and other non-covalent interactions in some experimentally reported crystal geometries.
Arpita Varadwaj, Pradeep R. Varadwaj, H. Marques, K. Yamashita
2018Physical Chemistry, Chemical Physics - PCCP23 citations
Semantic Scholar
Probing the nature of the Co(III) ion in corrins: the structural and electronic properties of dicyano- and aquacyanocobyrinic acid heptamethyl ester and a stable yellow dicyano- and aquacyanocobyrinic acid heptamethyl ester.
S. M. Chemaly, K. Brown, M. Fernandes, O. Munro +2 more
2011Inorganic Chemistry23 citations
Semantic Scholar
The coordination of imidazole and substituted pyridines by the hemeoctapeptide N-acetyl-ferromicroperoxidase-8 (FeIINAcMP8).
Preeti R. Vashi, H. Marques
2004Journal of Inorganic Biochemistry23 citations
Semantic Scholar
cis influence in models of cobalt corrins by DFT and TD-DFT studies.
Isabelle Navizet, Christopher B. Perry, P. Govender, H. Marques
2012Journal of Physical Chemistry B22 citations
Semantic Scholar
NMR spectroscopy and molecular modelling studies of nitrosylcobalamin: further evidence that the deprotonated, base-off form is important for nitrosylcobalamin in solution
Hanaa A. Hassanin, L. Hannibal, D. Jacobsen, K. Brown +2 more
2008Dalton Transactions21 citations Open access
Semantic Scholar
The inorganic chemistry of the cobalt corrinoids - an update.
H. Marques
2023Journal of Inorganic Biochemistry20 citations
Semantic Scholar
The Pnictogen Bond: The Covalently Bound Arsenic Atom in Molecular Entities in Crystals as a Pnictogen Bond Donor
Arpita Varadwaj, Pradeep R. Varadwaj, H. Marques, K. Yamashita
2022Molecules20 citations Open access
Semantic Scholar
DFT studies of trans and cis influences in the homolysis of the Co-C bond in models of the alkylcobalamins.
P. Govender, Isabelle Navizet, Christopher B. Perry, H. Marques
2013Journal of Physical Chemistry A20 citations
Semantic Scholar
Nature of halogen‐centered intermolecular interactions in crystal growth and design: Fluorine‐centered interactions in dimers in crystalline hexafluoropropylene as a prototype
Arpita Varadwaj, H. Marques, Pradeep R. Varadwaj
2019Journal of Computational Chemistry18 citations
Semantic Scholar
Chalcogen Bonding in the Molecular Dimers of WCh2 (Ch = S, Se, Te): On the Basic Understanding of the Local Interfacial and Interlayer Bonding Environment in 2D Layered Tungsten Dichalcogenides
Pradeep R. Varadwaj, Arpita Varadwaj, H. Marques, K. Yamashita
2022International Journal of Molecular Sciences16 citations Open access
Semantic Scholar
C70 Fullerene Cage as a Novel Catalyst for Efficient Proton Transfer Reactions between Small Molecules: A Theoretical study
Pradeep R. Varadwaj, Arpita Varadwaj, H. Marques
2019Scientific Reports16 citations Open access
Semantic Scholar
Polymorphic Diversity: N-Phenylbenzamide as a Possible Polymorphophore
Caitlin F. Zipp, H. Dirr, M. Fernandes, H. Marques +1 more
201315 citations
Semantic Scholar
The preparation of N-acetyl-Co(III)-microperoxidase-8 (NAcCoMP8) and its ligand substitution reactions: a comparison with aquacobalamin (vitamin B(12a)).
S. Mathura, Desigan Sannasy, A. D. de Sousa, Christopher B. Perry +2 more
2013Journal of Inorganic Biochemistry15 citations
Semantic Scholar
Using artificial neural networks to develop molecular mechanics parameters for the modelling of metalloporphyrins. III. Five coordinate Zn(II) porphyrins and the metalloprophyrins of the early 3d metals
C. Skopec, Janine M. Robinson, I. Cukrowski, H. Marques
200515 citations
Semantic Scholar
Solution structure and thermolysis of Cobeta-5'-deoxyadenosylimidazolylcobamide, a coenzyme B12 analogue with an imidazole axial nucleoside.
K. Brown, X. Zou, R. Banka, Christopher B. Perry +1 more
2004Inorganic Chemistry13 citations
Semantic Scholar
Chalcogen···Chalcogen Bonding in Molybdenum Disulfide, Molybdenum Diselenide and Molybdenum Ditelluride Dimers as Prototypes for a Basic Understanding of the Local Interfacial Chemical Bonding Environment in 2D Layered Transition Metal Dichalcogenides
Pradeep R. Varadwaj, H. Marques, Arpita Varadwaj, K. Yamashita
2022Inorganics12 citations Open access
Semantic Scholar
Low-spin complexes of Ni2+ with six NH3 and H2O ligands: A DFT–RX3LYP study
Pradeep R. Varadwaj, I. Cukrowski, H. Marques
200912 citations
Semantic Scholar
Probing the nature of the Co(III) ion in cobalamins: The reactions of aquacobalamin (vitamin B12a), aqua-10-chlorocobalamin and aqua-10-bromocobalamin with anionic and neutral ligands
N. Ghadimi, Christopher B. Perry, M. Fernandes, P. Govender +1 more
201511 citations
Semantic Scholar
The Tetrel Bond and Tetrel Halide Perovskite Semiconductors
Pradeep R. Varadwaj, Arpita Varadwaj, H. Marques, K. Yamashita
2023International Journal of Molecular Sciences10 citations Open access
Semantic Scholar
A density functional theory and quantum theory of atoms-in-molecules analysis of the stability of Ni(II) complexes of some amino alcohol ligands.
Pradeep R. Varadwaj, I. Cukrowski, Christopher B. Perry, H. Marques
2011Journal of Physical Chemistry A10 citations Open access
Semantic Scholar
DFT RX3LYP and RPBEPBE studies on the structural, electronic, and vibrational properties of some amino-alcohol ligands
Pradeep R. Varadwaj, I. Cukrowski, H. Marques
200910 citations
Semantic Scholar
Probing the nature of the Co(III) ion in cobalamins: The ligand substitution reactions of aquacyanocobester, aquacyano(10-nitro)cobester and aquacyano(10-amino)cobester
N. Ghadimi, Christopher B. Perry, P. Govender, H. Marques
20169 citations Open access
Semantic Scholar

Frequent co-authors

Invite them to SciRah by sharing their profile.

Pradeep R. Varadwaj×30
Invite
Pradeep R. Varadwaj — researcher profile on SciRah
Arpita Varadwaj×22
Invite
Arpita Varadwaj — researcher profile on SciRah
K. Yamashita×14
Invite
K. Yamashita — researcher profile on SciRah
Christopher B. Perry×7
Invite
Christopher B. Perry — researcher profile on SciRah

I. Cukrowski×6

Invite

I. Cukrowski — researcher profile on SciRah

Invite

K. Brown — researcher profile on SciRah

M. Fernandes×3

Invite

M. Fernandes — researcher profile on SciRah

Isabelle Navizet×3

Invite

Isabelle Navizet — researcher profile on SciRah

Invite

P. Govender — researcher profile on SciRah

K. D. de Villiers×2

Invite

K. D. de Villiers — researcher profile on SciRah

Invite

T. Egan — researcher profile on SciRah

S. M. Chemaly×2

Invite

S. M. Chemaly — researcher profile on SciRah