Deepak Chopra
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- Masters Computer Science Stanford University
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(Suggest an Edit or Addition)Deepak Chopra's Published Works
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Published Works
- Role of organic fluorine in crystal engineering (2011) (257)
- Is Organic Fluorine Really “Not” Polarizable? (2012) (123)
- Role of Hetero-Halogen (F···X, X = Cl, Br, and I) or Homo-Halogen (X···X, X = F, Cl, Br, and I) Interactions in Substituted Benzanilides (2011) (97)
- Cu-catalyzed efficient synthetic methodology for ebselen and related Se-N heterocycles. (2010) (95)
- Evaluation of the interchangeability of C–H and C–F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides (2008) (95)
- Binuclear copper(II) complexes with N4O3 coordinating heptadentate ligand: synthesis, structure, magnetic properties, density-functional theory study, and catecholase activity. (2008) (94)
- Pointers toward the occurrence of C-F...F-C interaction: Experimental charge density analysis of 1-(4-fluorophenyl)-3,6,6-trimethyl-2-phenyl-1,5,6,7-tetrahydro-4H-indol-4-one and 1-(4-fluorophenyl)-6-methoxy-2-phenyl-1,2,3,4-tetrahydroisoquinoline. (2006) (87)
- Structural Investigation of Weak Intermolecular Interactions in Fluorine Substituted Isomeric N-Benzylideneanilines (2012) (69)
- Isoselenazolones as catalysts for the activation of bromine: bromolactonization of alkenoic acids and oxidation of alcohols. (2012) (68)
- Exploiting the Role of Molecular Electrostatic Potential, Deformation Density, Topology, and Energetics in the Characterization of S···N and Cl···N Supramolecular Motifs in Crystalline Triazolothiadiazoles (2016) (62)
- Crystalline ethane-1,2-diol does not have intra-molecular hydrogen bonding: Experimental and theoretical charge density studies (2010) (61)
- Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides (2012) (57)
- Revealing the Polarizability of Organic Fluorine in the Trifluoromethyl Group: Implications in Supramolecular Chemistry (2014) (55)
- Polymorphism in 1-(4-fluorophenyl)-3,6,6-trimethyl-2-phenyl-1,5,6,7-tetrahydro-4H-indol-4-one: A subtle interplay of weak intermolecular interactions (2005) (50)
- Competing magnetic interactions in a dinuclear Ni(II) complex: antiferromagnetic O-H...O moiety and ferromagnetic N3- ligand. (2006) (50)
- Experimental and theoretical analysis of lp⋯π intermolecular interactions in derivatives of 1,2,4-triazoles (2014) (48)
- Experimental and Theoretical Characterization of Short H-Bonds with Organic Fluorine in Molecular Crystals (2014) (47)
- "Pnicogen bonds" or "chalcogen bonds": exploiting the effect of substitution on the formation of PSe noncovalent bonds. (2016) (47)
- Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides (2013) (41)
- Synthesis, structure and magnetic properties of two end-on double azido bridged nickel(II) dinuclear entities incorporating N,N,N-coordinating tridentate reduced Schiff base ligands (2006) (41)
- Quantitative crystal structure analysis of 1,3,4-thiadiazole derivatives (2013) (41)
- Dimorphic Forms in a Non-Centrosymmetric Environment from a Prochiral Molecule: Cooperative Interplay of Strong Hydrogen Bonds and Weak Intermolecular Interactions (2005) (39)
- Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides (2012) (39)
- Advances in understanding of chemical bonding: inputs from experimental and theoretical charge density analysis. (2012) (38)
- Molecular modeling studies and anti-TB activity of trisubstituted indolizine analogues; molecular docking and dynamic inputs (2017) (38)
- Variability in Halogen Interactions: In situ Cryocrystallization of Low Melting Substituted Trifluoroacetophenones (2007) (38)
- Family of mixed-valence oxovanadium(IV/V) dinuclear entities incorporating N4O3-coordinating heptadentate ligands: synthesis, structure, and EPR spectra. (2005) (35)
- Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination. (2016) (34)
- Synthesis and Structural Elucidation of Novel Benzothiazole Derivatives as Anti-tubercular Agents: In-silico Screening for Possible Target Identification. (2019) (33)
- RhCl3-assisted C-H and C-S bond scissions: isomeric self-association of organorhodium(iii) thiolato complex. synthesis, structure, and electrochemistry. (2008) (31)
- 17Alpha-estradiol x 1/2 H2O: super-structural ordering, electronic properties, chemical bonding, and biological activity in comparison with other estrogens. (2009) (31)
- Molecular Dynamics Simulation of Proteins: A Brief Overview (2014) (28)
- Understanding of Noncovalent Interactions Involving Organic Fluorine (2015) (28)
- Crystallographic and computational investigation of intermolecular interactions involving organic fluorine with relevance to the hybridization of the carbon atom (2015) (28)
- Polymorphism in two biologically active dihydropyrimidinium hydrochloride derivatives: quantitative inputs towards the energetics associated with crystal packing. (2014) (27)
- Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)–F and CF3 groups in organic solids (2016) (27)
- Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates (2011) (27)
- In Situ Cryo-Crystallization of Fluorinated Amines:A Comparative Study of Cooperative Intermolecular Interactions Involving Ordered and Disordered Fluorine (2006) (26)
- Exploring Solid State Diversity and Solution Characteristics in a Fluorine-Containing Drug Riluzole (2017) (26)
- Disorder Induced Concomitant Polymorphism in 3-Fluoro-N-(3-fluorophenyl)benzamide (2008) (25)
- Design, synthesis, and characterization of (1-(4-aryl)- 1H-1,2,3-triazol-4-yl)methyl, substituted phenyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates against Mycobacterium tuberculosis (2016) (25)
- A Ferromagnetically Coupled, Bent, Trinuclear Copper(II) Complex: Synthesis, Structure, Hydrogen‐Bonding Network, Magnetic Properties and DNA Interaction Study (2006) (25)
- Anti-Tubercular Activity of Substituted 7-Methyl and 7-Formylindolizines and In Silico Study for Prospective Molecular Target Identification (2019) (25)
- Computational Study of the Formation of Short Centrosymmetric N–H···S Supramolecular Synthon and Related Weak Interactions in Crystalline 1,2,4-Triazoles (2014) (24)
- Computational, crystallographic studies, cytotoxicity and anti-tubercular activity of substituted 7-methoxy-indolizine analogues (2019) (24)
- Micellar aggregates and hydrogels from phosphonobile salts. (2005) (23)
- 'Quasi-isostructural polymorphism' in molecular crystals: inputs from interaction hierarchy and energy frameworks. (2016) (23)
- Mixed bridged dinuclear Ni(II) complexes: synthesis, structure, magnetic properties and DFT study. (2008) (23)
- A family of oxorhenium(v) complexes incorporating chelated monoanionic ONN reduced Schiff base and dianionic ONNO tetradentate ligands: synthesis, spectroscopic and electrochemical studies. (2004) (22)
- Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates (2010) (22)
- Characterization of fluorine-centred `F...O' σ-hole interactions in the solid state. (2017) (21)
- Dispersion Stabilized Se/Te···π Double Chalcogen Bonding Synthons in in Situ Cryocrystallized Divalent Organochalcogen Liquids (2018) (21)
- Exploring the Role of Substitution on the Formation of Se···O/N Noncovalent Bonds. (2015) (21)
- Diversity in Mechanical Response in Donor–Acceptor Coupled Cocrystal Stoichiomorphs Based on Pyrene and 1,8-Dinitroanthraquinone Systems (2018) (20)
- Efficient Synthesis and Characterization of Novel Substituted 3-Benzoylindolizine Analogues via the Cyclization of Aromatic Cycloimmoniumylides with Electron-Deficient Alkenes with Chromium(IV)oxide Catalyst (2017) (20)
- N–H⋯π induced configurational isomerism and the role of temperature in the Z to E isomerization of 2-fluoro-N′-(3-fluorophenyl)benzimidamide (2015) (20)
- Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals. (2020) (19)
- Chemical bonding and structure-reactivity correlation in Meldrum's acid: a combined experimental and theoretical electron density study. (2009) (19)
- An oxacalix[4]arene derived dual sensing fluorescent probe for the detection of As(v) and Cr(vi) oxyanions in aqueous media. (2020) (18)
- Analysis of weak interactions involving organic fluorine: Insights from packing features in substituted 4-keto-tetrahydroindoles (2008) (16)
- Crystallographic and Theoretical Investigation on the Nature and Characteristics of Type I C═S···S═C Interactions (2016) (16)
- Exploring the Relationship between Intermolecular Interactions and Solid-State Photophysical Properties of Organic Co-Crystals (2018) (16)
- "Conformational lock"via unusual intramolecular C-FO[double bond, length as m-dash]C and C-HCl-C parallel dipoles observed in in situ cryocrystallized liquids. (2016) (16)
- Synthesis, structure and characterization of fac-[Re(CO)3]+ complexes derived from hydrazone Schiff bases: DFT–TDDFT investigation on electronic structures (2008) (16)
- Interfacial Engineering of CuCo2S4/g-C3N4 Hybrid Nanorods for Efficient Oxygen Evolution Reaction. (2021) (16)
- Assessing the Significance of Hexafluorobenzene as a Unique Guest Agent through Stacking Interactions in Substituted Ethynylphenyl Benzamides (2018) (15)
- Anti-Tubercular Properties of 4-Amino-5-(4-Fluoro-3- Phenoxyphenyl)-4H-1,2,4-Triazole-3-Thiol and Its Schiff Bases: Computational Input and Molecular Dynamics (2020) (15)
- Binuclear μ1,1-N3 and O-H···O bridged nickel(II) complex with a N3O chelating agent : Synthesis, structure and magnetic properties (2006) (15)
- Complex electronic interplay of σ-hole and π-hole interactions in crystals of halogen substituted 1,3,4-oxadiazol-2(3H)-thiones (2017) (14)
- Evaluation of the role of isostructurality in fluorinated phenyl benzoates (2017) (14)
- Quantitative Investigation of the Structural, Thermal, and Mechanical Properties of Polymorphs of a Fluorinated Amide. (2017) (13)
- Characterization of NO non-covalent interactions involving σ-holes: "electrostatics" or "dispersion". (2016) (13)
- Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions (2019) (13)
- Characterization of the short OC⋯OC π-hole tetrel bond in the solid state (2018) (13)
- Cocrystals: A Review of Recent Trends in Pharmaceutical and Material Science Applications (2017) (13)
- Improving solubility and intrinsic dissolution rate of ofloxacin API through salt formation via mechanochemical synthesis with diphenic acid (2020) (12)
- Crystal structure landscape of conformationally flexible organo-fluorine compounds (2016) (12)
- Larvicidal Activities of 2-Aryl-2,3-Dihydroquinazolin -4-ones against Malaria Vector Anopheles arabiensis, In Silico ADMET Prediction and Molecular Target Investigation (2020) (12)
- Analysis of intermolecular interactions involving halogens in substituted benzanilides (2005) (12)
- Larvicidal study of tetrahydropyrimidine scaffolds against Anopheles arabiensis and structural insight by single crystal X‐ray studies (2018) (12)
- Understanding the effect of substitution on the formation of S. . .F chalcogen bond (2016) (12)
- Crystal Structure-Mechanical Property Correlations in N-(3-ethynylphenyl)-3-fluorobenzamide Polymorphs (2018) (11)
- Anti-tubercular activity and molecular docking studies of indolizine derivatives targeting mycobacterial InhA enzyme (2021) (11)
- Impact of the complementary electronic nature of C–X and M–X halogens and intramolecular X⋯O interaction on supramolecular assemblies of Zn(II) complexes of o-halophenyl substituted hydrazides (2017) (11)
- Chalcogen and Pnictogen Bonds: Insights and Relevance (2021) (11)
- Exploring the simultaneous σ-hole/π-hole bonding characteristics of a Br⋯π interaction in an ebselen derivative via experimental and theoretical electron-density analysis (2018) (11)
- Synthesis, crystal structure and theoretical analysis of intermolecular interactions in two biologically active derivatives of 1,2,4-triazoles (2017) (10)
- Quantitative investigation of C–H⋯π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives (2017) (10)
- Occurrence of 3D isostructurality in fluorinated phenyl benzamidines (2017) (10)
- Insights into the supramolecular features in isopropylmalonic and n-butylmalonic acids: Inputs from PIXEL and Hirshfeld surface analysis (2016) (10)
- Exploring polymorphism by solvent mediation in potentially active herbicide Metribuzin: A subtle interplay of weak intermolecular interactions (2005) (10)
- The mechanism of bending in a plastically flexible crystal. (2020) (10)
- Cu‐Catalyzed Efficient Synthetic Methodology for Ebselen and Related Se—N Heterocycles. (2011) (10)
- Synthesis and characterization of a novel series of 1,4‐dihydropyridine analogues for larvicidal activity against Anopheles arabiensis (2017) (10)
- Observation of bending, cracking and jumping phenomena on cooling and heating of tetrahydrate berberine chloride crystals (2018) (9)
- Characterization of electronic features of intermolecular interactions involving organic fluorine: Inputs from in situ cryo-crystallization studies on F and CF3 substituted anilines (2018) (9)
- Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides (2015) (9)
- Quantitative Investigation of Polymorphism in 3-(Trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzamide (2016) (8)
- Se⋅⋅⋅O/S and S⋅⋅⋅O Chalcogen Bonds in Small Molecules and Proteins: A Combined CSD and PDB Study (2021) (8)
- Crystallography, in Silico Studies, and In Vitro Antifungal Studies of 2,4,5 Trisubstituted 1,2,3-Triazole Analogues (2020) (8)
- The generalized anomeric effect in the 1,3-thiazolidines: Evidence for both sulphur and nitrogen as electron donors. Crystal structures of various N-acylthiazolidines including mercury(II) complexes. Possible relevance to penicillin action (2007) (8)
- 3‐Acetyl‐6‐chloro‐2H‐chromen‐2‐one (2006) (8)
- Synthesis and crystal structure of M(hmt) 2(H 2O) 6(NO 3) 2.4H 2O complexes, where M=Mn 2+, Co 2+ (2005) (8)
- Investigation of Chemical Bonding in In Situ Cryocrystallized Organometallic Liquids. (2017) (8)
- A series of substituted (2E)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-ones. (2007) (8)
- Unravelling the Importance of H bonds, σ–hole and π–hole-Directed Intermolecular Interactions in Nature (2019) (8)
- Quantitative Analysis of Intermolecular Interactions in 7-Hydroxy-4-methyl-2H-chromen-2-one and Its Hydrate (2014) (8)
- Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization† (2021) (8)
- Silicone Oil Induced Spontaneous Single-Crystal-to-Single-Crystal Phase Transitions in Ethynyl Substituted ortho- and meta-Fluorinated Benzamides (2017) (7)
- Design and synthesis of cyclic depsipeptides containing triazole (CDPT) rings (2014) (7)
- Synthesis and characterization of metal substituted AlxCr1−x(acetylacetonate)3 single-source precursors for their application to MOCVD of thin films (2010) (7)
- Characterization of non-classical C-Br⋯π interactions in (E)-1,3-dibromo-5-(2-(ferrocenyl)vinyl)benzene and related derivatives of ferrocene (2017) (7)
- Efficient Synthesis and Characterization of Novel Substituted 3-Benzoylindolizine Analogues via the Cyclization of Aromatic Cycloimmoniumylides with Electrondeficient Alkenes (2018) (6)
- Potential and challenges of engineering mechanically flexible molecular crystals (2021) (6)
- Crystal structure analysis of [5-(4-methoxyphenyl)-2-methyl-2H-1,2,3-triazol-4-yl](thiophen-2-yl)methanone (2018) (6)
- Assessing the impact on aqueous solubility of berberine chloride via co-crystallization with different stoichiometric ratios of pyromellitic dianhydride (2020) (6)
- Guest Solvent-dependence of the Nanomechanical Response in Substituted Dihydropyrimidinone Crystals. (2019) (6)
- Binuclear mixed valence oxovanadium(IV/V) complexes containing a [OVIV(μ-Ooxo)(μ-Ophen)VVO]2+ core : Synthesis, EPR spectra, molecular and electronic structure (2006) (6)
- Ethyl 4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (2009) (6)
- Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF3 and halogen (Cl or Br or I) substituted benzamides (2018) (5)
- Analysis of intermolecular interactions in 3-(4-fluoro-3-phenoxyphenyl)-1-((4-methylpiperazin-1-yl)methyl)-1H-1,2,4-triazole-5-thiol (2014) (5)
- Synthesis and characterization of a 2D covalent organic framework (COF) of hexagonal topology using boronate linkages (2018) (5)
- Observation of Rapid Desolvation of Hexafluorobenzene Involving Single-Crystal-to-Single-Crystal Phase Transition in a Nonporous Organic Host (2018) (5)
- Unravelling the electronic nature of C-FO-C non-covalent interaction in proteins and small molecules in the solid state. (2020) (5)
- 6‐Bromo‐3‐(dibromoacetyl)‐2H‐chromen‐2‐one (2007) (5)
- 3-(2-Amino-1,3-thiazol-4-yl)-6-bromo-2H-chromen-2-one (2009) (5)
- 3-(2-Anilino-1,3-thiazol-4-yl)-2H-chromen-2-one (2006) (5)
- (4E)-3-[(2-Chloro-4,5-dihydro-1,3-thiazol-5-yl)methyl]-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine (thiamethaxam) (2004) (5)
- Lead-Free, Water-Stable A3 Bi2 I9 Perovskites: Crystal Growth and Blue-Emitting Quantum Dots [A=CH3 NH3 + , Cs+ , and (Rb0.05 Cs2.95 )+ ]. (2020) (5)
- Quantitative Evaluation of C–H···O and C–H···π Intermolecular Interactions in Ethyl-3-benzyl-1-methyl-2-oxoindoline-3-carboxylate and 3-Methyl-but-2-en-1-yl-1,3-dimethyl-2-oxoindoline-3-carboxylate: Insights from PIXEL and Hirshfeld Analysis (2014) (5)
- Quantitative investigation on the intermolecular interactions present in 8-(4-ethoxyphenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione with insight from interaction energies, energy framework, electrostatic potential map and fingerprint analysis (2020) (5)
- Defects Engineering on Ceria and C-C Coupling Reactions Using [Au11(PPh3)7I3] Nanocluster: A Combined Experimental and Theoretical Study. (2020) (5)
- Ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)ureido- sulfonyl]-1-methyl-1H-pyrazole-4-carboxylate (2004) (5)
- Methyl 2(E)-methoxyimino-2-[2-(2-methylphenoxymethyl)phenyl]acetate (2004) (5)
- Dissecting the Conformational and Interaction Topological Landscape of N-ethynylphenylbenzamide by the Device of Polymorphic Diversity (2019) (4)
- Synthesis, characterization and larvicidal activity of novel benzylidene derivatives of fenobam and its thio analogues with crystal insight (2021) (4)
- Tetrakis-μ-l-alanine-κ8 O:O′-bis[tetraaquaterbium(III)] hexaperchlorate (2010) (4)
- Diverse Mechanical Properties of 1,3-Bis(4-nitrophenyl) thiourea–DMSO Dimorphic Solvates (2022) (4)
- Quantitative characterization of new supramolecular synthons involving fluorine atoms in the crystal structures of di- and tetrafluorinated benzamides. (2017) (4)
- Role of Ligand on Photophysical Properties of Nanoclusters with fcc Kernel: A Case Study of Ag14(SC6H4X)12(PPh3)8 (X = F, Cl, Br). (2021) (4)
- Organocatalytic Asymmetric Synthesis of Cyclic Acetals with Spirooxindole Skeleton (2021) (4)
- Structural investigation of methyl 3-(4-fluorobenzoyl)-7-methyl-2-phenylindolizine-1-carboxylate, an inhibitory drug towards Mycobacterium tuberculosis (2020) (4)
- Role of Polymorphism in Materials Science (2014) (4)
- Utilizing Co-Crystallization as a Tool to Unravel the Structural Diversity and Electronic Features of I···S Halogen Bonded Interactions in Stoichiomorphic Co-Crystals (2020) (4)
- Investigating the Role of Weak Interactions to Explore the Polymorphic Diversity in Difluorinated Isomeric N-Phenylcinnamamides (2021) (4)
- DBU-Catalyzed Rearrangement of Secondary Propargylic Alcohols: An Efficient and Cost-Effective Route to Chalcone Derivatives (2020) (4)
- 4-Aryl-1,4-Dihydropyridines as Potential Enoyl-Acyl Carrier Protein Reductase Inhibitors: Antitubercular Activity and Molecular Docking Study. (2020) (3)
- Solvatomorphism in (Z)-4-fluoro-N′-(3-fluorophenyl)benzimidamide: the role of intermolecular O–H⋯F interaction (2016) (3)
- Methyl 2-(acetylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (2004) (3)
- 4-(4-fluoro-3-phenoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile and the 6-(4-methylphenyl)- analogue. (2006) (3)
- N-(2-{[(2E)-2-(2-Hydroxybenzylidene)hydrazino]carbonyl}phenyl)benzamide (2006) (3)
- Role of lone pair- π interaction and halogen bonding in the crystal packing of 1,2,4-oxadiazole derivatives (2019) (3)
- 3-Dibromoacetyl-2H-chromen-2-one (2007) (3)
- CHAPTER 3:Intermolecular Interactions in In situ Cryocrystallized Compounds (2018) (3)
- 2,2/-Bipyridyl Chelated Ru(II)-Annulated NHC Complex of 1-Methyl-2-Pyridin-2-Yl-2H-Imidazo[1,5-a]Pyridin-4-Ylidene: Synthesis, Structure, Optical Properties, and DFT Interpretation (2022) (3)
- 3,4-Dimethoxyphenylacetic acid (2003) (3)
- Insight from electron density and energy framework analysis on the structural features of Fx-TCNQ (x = 0, 2, 4) family of molecules. (2019) (3)
- Strength vs. Accessibility: Unraveling the Patterns of Self‐Recognition in a Conformationally Locked Amino Alcohol (2008) (3)
- Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones. (2017) (3)
- An Electron-Rich Helical Host for Exclusive Removal of a Planar Electron Deficient Organic Guest. (2019) (3)
- Amido binding to ReO3+ core : Synthesis, structure and intermolecular interactions (2006) (3)
- Quantitative Insights into the Crystal Structures of Nitro Derivatives of Ethyl (2E)-2-cyano-3-phenylprop-2-enoate: Inputs from X-Ray Diffraction, DFT Calculations and Hirshfeld Surface Analysis (2014) (3)
- Probing the distinct nanomechanical behaviour of a new co-crystal and a known solvate of 5-fluoroisatin and identification of a new polymorph (2020) (3)
- Tetravalent Spiroselenurane Catalysts: Intramolecular Se···N Chalcogen Bond-Driven Catalytic Disproportionation of H2O2 to H2O and O2 and Activation of I2 and NBS. (2022) (3)
- Synthesis and structural characterisation of new Re(III) complexes using aldimines of α-amino acids as coligands (2007) (3)
- Understanding the molecular origin of solid-state emitting PMI realized via the detection of hazardous organic peroxides (2021) (2)
- Quantitative Investigation of Weak Intermolecular Interactions of −F and −CF3 Substituted in Situ Cryocrystallized Benzaldehydes (2020) (2)
- Crystal structure of a 1:1 cocrystal of nicotinamide with 2-chloro-5-nitrobenzoic acid (2019) (2)
- N-(X-Methylphenyl)-2-{(Z)-[(2,3,4-trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, where X = 2 and 3. (2010) (2)
- In situ Cryocrystallization: Pathways to Study Intermolecular Interactions (2013) (2)
- Interplay of Anion-π+ and π+-π+ Interactions ….. Applications in Live Cell Mitochondrial Imaging. (2022) (2)
- Poly[bis(benzotriazolato)di-μ-oxo-dilead(II)] (2005) (2)
- The art of in situ cryocrystallization (2014) (2)
- Exploring concomitant/conformational dimorphism in a difluoro-substituted phosphoramidate derivative. (2019) (2)
- 2-(4-Chloro-3-nitrophenyl)-4-(4-chlorophenyl)-1,3-thiazole (2009) (2)
- 3-(2-Amino-1,3-thiazol-4-yl)-6-chloro-2H-chromen-2-one (2009) (2)
- 4-Methyl-2,6-bis(2-naphthylmethylene)-cyclohexan-1-one (2007) (2)
- Synthesis, characterization and structure of [Ni(H 2 O) 6 ] 2 (Cr 2 O 7 ) 2 (hmta) 4 ·2H 2 O (hmta=hexamethylenetetramine): a novel metal organic-inorganic hybrid (2005) (2)
- Insights from electron density analysis into the charge transfer mechanism in a photoluminescent cocrystal of phenanthrene and tetrafluoro-1,4-benzoquinone (2020) (2)
- Polymorphism in an anti-implantation agent: a subtle interplay of weak intermolecular interactions (2005) (2)
- Crystal packing analysis of in situ cryocrystallized 2,2,2-trifluoroacetophenone (2018) (2)
- (5S)-1,4-Bis{[(1E)-4-methylbenzylidene]-amino}-5-(thien-2-yl)pyrrolidin-2-one (2007) (2)
- Synthesis, structural elucidation and larvicidal activity of novel arylhydrazones (2021) (2)
- Terpyridyl complexes as antimalarial agents (2013) (2)
- Coupling Nonstoichiometric Zn0.76Co0.24S with NiCo2S4 Composite Nanoflowers for Efficient Synergistic Electrocatalytic Oxygen and Hydrogen Evolution Reactions (2022) (2)
- Chapter 3:Role of Fluorine in Weak Interactions in Co-crystals (2011) (2)
- Computational approaches towards crystal engineering in molecular crystals (2014) (2)
- Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (2005) (2)
- Quantitative investigation of intermolecular interactions in dimorphs of 3-Chloro-N-(2-fluorophenyl)benzamide and 2-Iodo-N-(4- bromophenyl)benzamide (2018) (2)
- 1,2,3-Triazolyl-tetrahydropyrimidine Conjugates as Potential Sterol Carrier Protein-2 Inhibitors: Larvicidal Activity against the Malaria Vector Anopheles arabiensis and In Silico Molecular Docking Study (2022) (2)
- Tetrakis-μ-l-alanine-κ8 O:O′-bis[tetraaquaterbium(III)] hexaperchlorate. Corrigendum (2010) (2)
- Structural insights into salts and a salt polymorph of nitrogen containing small organic molecules (2018) (2)
- Four substituted pyrazolines. (2007) (2)
- Interplay of Halogen and Hydrogen Bonding through Co-Crystallization in Pharmacologically Active Dihydropyrimidines: Insights from Crystal Structure and Energy Framework. (2021) (2)
- Synthesis and an Evaluation of Molecular Conformation and Crystal Packing in Two Substituted 4-Phenylquinolines (2012) (2)
- Role of Fluorine in Weak Interactions in Co‐crystals (2012) (2)
- Crystal structure analysis of the biologically active drug molecule riluzole and riluzolium chloride (2019) (1)
- New Processes And Materials For Ultraviolet Detection With Solid State Devices (1977) (1)
- Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate (2018) (1)
- Delivering Arsenic-free Drinking Water-Made Practically Possible: Continuous Scale Electrochemical Arsenic Remediation Process Furnished, based on Experimental Studies and ANN Simulation (2021) (1)
- Quantitative Analysis ofIntermolecular Interactionsin the Crystal Structure of4-(2-(ethoxymethyl)phenyl)-1Hpyrazol-3-ol (2015) (1)
- Similarities and differences in the crystal packing of halogen-substituted indole derivatives. (2018) (1)
- Rh(III)-catalyzed one-step synthesis of ortho-alkynylated perylene imide dyes: Optical and electrochemical properties of new derivatives. (2022) (1)
- 3-(4-Fluoro-3-phenoxyphenyl)-5-(4-methoxyphenyl)-isoxazole (2006) (1)
- Ethyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate monohydrate (2009) (1)
- Quantitative Crystal Structure Analysis of (E)-1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine (2014) (1)
- 4-Fluoro-N′-(4-fluoro-3-phenoxybenzoyl)-3-phenoxybenzohydrazide (2006) (1)
- Organocatalytic asymmetric addition of thioglycolates to o-quinone methides: a route to 5-substituted-5H-benzoxathiepine-2(3H)-ones. (2020) (1)
- Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)-F and CF3 group in organic flustrates (2016) (1)
- 1-Acetyl-3-(4-chlorophenyl)-5-(4-fluoro-3-phenoxyphenyl)-1H-pyrazole (2006) (1)
- Plastic Deformation in a Molecular Crystal Enables a Piezoresistive Response. (2023) (1)
- Surprises in Crystal Chemistry of Sugars (2013) (1)
- Exploring the pH Reliant High Photocatalytic Degradation of Organic Dyes using H-Bonded Ni(II) Coordination Network (2022) (1)
- 3-(2-Anilino-1,3-thiazol-4-yl)-2H-chromen-2-one. Corrigendum (2006) (1)
- 2-Amino-N-(2-chlorophenyl)-4,5,6,7-tetra-hydro-1-benzothiophene-3-carboxamide (2005) (1)
- 4-(2-Methylprop-2-enyl)-1-[3-(trifluoromethyl)phenyl]thiosemicarbazide (2004) (1)
- Isolation and Structural Characterization of Regioisomers of Dibrominated Terrylene Diimides. (2022) (1)
- Oscillation of spontaneously generated optical activity in (′)-1-(p-nitrobenzoyloxy)indane solutions : 'serial SN2 reactions' in aggregates supported by the crystal structure. Frozen SN2 transition states and enantioselective distortions (2005) (1)
- Hexaaquamanganese(II) dinitrate bis(hexamethylenetetramine) tetrahydrate (2004) (1)
- Role of Hetero-Halogen (F center dot center dot center dot X, X = Cl, Br, and I) or Homo-Halogen (X center dot center dot center dot X, X = F, Cl, Br, and I) Interactions in Substituted Benzanilides (2011) (1)
- (2Z,3E)-2,3-Bis(2-thienylmethylene)-succinic acid methanol hemisolvate (2007) (1)
- Unravelling the Origin of Solvate Formation in the Anticancer Drug Trametinib: Insights from Crystal Structure Analysis and Computational Modeling (2022) (1)
- Investigation of intermolecular interactions in fluoro/trifluoromethyl derivatives of benzoylferrocene (2021) (1)
- Quantitative Analysis of Intermolecular Interactions in the Crystal Structure of 4-(2-(ethoxymethyl)phenyl)-1H- pyrazol-3-ol (2015) (1)
- Understanding σ- and π-hole centred interactions in crystals from electron-density analysis (2021) (0)
- CRYSTALLOGRAPHY OF ORGANIC COMPOUNDS C284 (2005) (0)
- Structural investigation and Hirshfeld surface analysis of two polymorphs of 2-(4-Methylbenzamido)-5-(4-fluoro-3-phenoxyphenyl)-1,3,4-thiadiazoles (2022) (0)
- Structural investigation of N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]benzamide and N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]-4-methoxybenzamide (2021) (0)
- Correction to Interfacial Engineering of CuCo2S4/g-C3N4 Hybrid Nanorods for Efficient Oxygen Evolution Reaction. (2022) (0)
- Investigation of interactions involving organic fluorine in trifluoromethylated benzanilides (2011) (0)
- The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs (2023) (0)
- Computational Study of the Formation of Short Centrosymmetric N-center dot center dot center dot S Supramolecular Synthon and Related Weak Interactions in Crystalline 1,2,4-Triazoles (2014) (0)
- Structure analysis of hydroxy/non-hydroxy substituted dihydropyrimidine molecules (2017) (0)
- Strength vs. Accessibility: Unraveling the Patterns of Self‐Recognition in a Conformationally Locked Amino Alcohol (Eur. J. Org. Chem. 5/2008) (2008) (0)
- Methyl 2‐{[(2E)‐3‐phenylprop‐2‐enoyl]amino}‐4,5,6,7‐tetrahydro‐1‐benzothiophene‐3‐carboxylate (2004) (0)
- 4,5-Dimethyl-N-(2-methylphenyl)-2-$\{[(1E)-(3,4,5-trimethoxyphenyl)methylene]amino\}$thiophene-3-carboxamide (2007) (0)
- (2E)-Methyl 2-{2-[6-(2-cyanophenoxy)-pyrimidin-4-yloxy]phenyl}-3-methoxyacrylate (2007) (0)
- Influence of guest lattice solvents on nanomechanical properties of pharmaceutical crystalline solids (2021) (0)
- 2-[(E)-(4-hydroxy-3-methoxybenzylidene)amino]-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. (2008) (0)
- Observation of 3D isostructurality in halogen substituted N -benzoyl- N -phenylbenzamides (2018) (0)
- P 01 Type I C ═ S · · · S ═ C Interactions (2017) (0)
- Crystal and Molecular Structure of 2-Amino-3-Ethyl Carboxamido-4-Metyl-5-Carboxy Ethyl Thiophene (2012) (0)
- 4-Fluoro-$N^\prime$-(4-fluoro-3-phenoxybenzoyl)-3-phenoxybenzohydrazide (2006) (0)
- N -(3-Fluorophenyl)-9 H -xanthen-9-ylideneamine (2004) (0)
- 5-(4-Fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydroisoxazole (2006) (0)
- Chapter 2 Understanding of Noncovalent Interactions Involving Organic Fluorine (2017) (0)
- The occurrence of isostructurality in fluorinated organic compounds (2017) (0)
- 5-Benzyl-1-(4-fluorophenyl)-2-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine (2006) (0)
- 2-[(E)-(4-Chlorophenyl)methyleneamino]-N-(X-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, where X = 2 and 3. (2004) (0)
- Quantitative Investigation of C-F...Î Interaction in 4-(2-(((6-(trifluoromethyl)pyridin-2-yl)oxy)methyl)phenyl)-1,2-dihydro-3H-pyrazol-3-one (2017) (0)
- Crystal and Molecular Structure Analysis in Knoevenagel Condensation Product of Substituted Napthofuran-2-Carbaldehydes (2020) (0)
- 2-(Acetamido)-4,5-dimethyl-N-(2-methyl-phenyl)thiophene-3-carboxamide (2004) (0)
- Diisopropyl (1,3‐dithiolan‐2‐ylidene)malonate (2005) (0)
- Quantitative insights into noncovalent interactions involving halogen and tetrel bonds in 2,4,6-trimethylpyrylium tetrafluoroborate. (2022) (0)
- 2,6-Bis(3,4-dimethoxybenzylidene)-4-ethylcyclohexanone (2007) (0)
- Supramolecular synthons involving fluorine atoms in crystal structures of fluorobenzamides (2017) (0)
- 5-(4-Fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydroisoxazole (2006) (0)
- Experimental and computational insights into energy contributions of intermolecular interactions (2017) (0)
- Quantitative Analysis of Intermolecular Interactions in 7-Hydroxy-4-methyl-2H-chromen-2-one and Its Hydrate (2014) (0)
- Advances in Classical Mechanics (2020) (0)
- Halogen interactions using variable temperature single crystal X-ray diffraction (2011) (0)
- Terpyridyl complexes as antimalarial agents : research article (2013) (0)
- 3-Amino-2-methyl-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one (2004) (0)
- Cu(II)(PhOMe-Salophen) Complex: Greener Pasture Biological Study, XRD/HAS Interactions, and MEP (2022) (0)
- A direct entry to polycyclic quinoxaline derivatives via I2-DMSO mediated oxidative decarboxylation of α-amino acids and the subsequent Pictet-Spengler cyclization reaction. (2022) (0)
- 6-(4-Chlorophenyl)-4-(4-fluoro-3-phenoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carbonitrile (2006) (0)
- Flexibility analysis of Native Pyridoxal Kinase and its complexes with ATP and ADP: A Molecular Dynamics Simulation Study (2015) (0)
- Contributions of Professor Tayur N. Guru Row to Research in Small-Molecule Crystallography (2023) (0)
- Structural Advancement in Shoc2‐MAPK Signaling Pathways in the Treatment of Cancer and Other Diseases (2022) (0)
- Multicomponent Crystals of Chlorpropamide: Multiple Conformers, Multiple Z′, and Proton Transfer at Play (2021) (0)
- Evaluating the importance of fractional Z′ polymorphs in a trifluoromethylated N,N′-diphenyloxalamide derivative (2019) (0)
- Characterization of non-covalent contacts in mono- and di-halo substituted acetaldehydes: probing the substitution effects of electron donating and withdrawing groups. (2023) (0)
- CCDC 884981: Experimental Crystal Structure Determination (2013) (0)
- Correction to Exploring Solid State Diversity and Solution Characteristics in a Fluorine-Containing Drug Riluzole (2017) (0)
- Investigation of intra- and intermolecular F...O contacts in crystals (2017) (0)
- Imidazopyridine–fluoride interaction: solvent-switched AIE effects via S⋯O conformational locking (2022) (0)
- Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates. (2022) (0)
- 1-(4-Chlorobenzyl)-6,6-dimethyl-2-phenyl-1,5,6,7-tetrahydro-4H-indol-4-one (2005) (0)
- Nitrate and Nitrite Reductions at Copper(II) Sites: Role of Noncovalent Interactions from Second-Coordination-Sphere. (2022) (0)
- 2-[(E)-Benzylideneamino]-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (2005) (0)
- 2-(1,1,2,2-Tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)- dione. (2004) (0)
- Structural Enhancement under X-ray Irradiation in an Octanuclear Uranium-Based 3D Metal–Organic Framework (2021) (0)
- N-[(9E)-2-Chloro-9-thia-9H-xanthen-9-ylidene]-N-(4-fluorophenyl)amine. (2004) (0)
- 4-Fluoro-3-phenoxybenzoic acid (2005) (0)
- A practical route to arylated dihydroacridine derivatives via nickel boride mediated intramolecular reductive cyclization-concomitant dehydration (2022) (0)
- Polymorph Screening of the Antitumor Drug Ripretinib─Selective Preference of Dimer Synthons (2023) (0)
- Crystal structures of the anhydrous and two solvated forms of methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. (2020) (0)
- CCDC 977852: Experimental Crystal Structure Determination (2015) (0)
- Ultrasensitive colorimetric detection of fluoride and arsenate in water and mammalian cells using recyclable metal oxacalixarene probe: a lateral flow assay (2022) (0)
- AIEgens Based on Anion‐π+ Interactions: Design, Synthesis, Photophysical Properties, and Their Applications in Material Science and Biology (2022) (0)
- Competing magnetic interactions in a dinuclear Ni(II) complex: Antiferromagnetic O-H center dot center dot center dot O moiety and ferromagnetic N-3(-) ligand (2006) (0)
- 1‐(4‐Chlorophenyl)‐2,6,6‐trimethyl‐1,5,6,7‐tetrahydro‐4H‐indol‐4‐one (2005) (0)
- An Expedient Route to Diaryl Tetrahydropentalenedione Derivatives via Intramolecular Pauson‐ Khand Carbonylative Cycloaddition‐ Oxidation Protocol (2021) (0)
- The art of in situ cryocrystallization (2014) (0)
- In Situ Cryocrystallized Organometallic Liquids (2017) (0)
- Type I C=S...S=C interactions (2017) (0)
- Exploring Polymorphism and Diversity in Intermolecular Interactions in Substituted Crystalline Benzophenones (2022) (0)
- N-Phenylethyl-N'-[3-(trifluoromethyl)phenyl]- thiourea (2004) (0)
- Butterfly effect: tracing shape-memory effect and elastic bending in a conformationally flexible organic salt (2021) (0)
- Two biologically active thiophene-3-carboxamide derivatives. (2005) (0)
- 2-Amino-N-(2-chlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (2004) (0)
- KI-TBHP mediated cascade oxidative annulations of enaminones: A facile approach towards 2, 4, 5-Trisubstituted oxazoles (2022) (0)
- Quantitative analysis of intermolecular interactions in crystalline substituted triazoles (2022) (0)
- trans-1,2-Difluoro-3,4,5,6,7,8-hexaphenyltricyclo$[4.2.0.0^{2,5}]$octa-3,7-diene (2007) (0)
- Methyl 2‐amino‐4,5,6,7‐tetrahydro‐1‐benzothiophene‐3‐carboxylate (2004) (0)
- Concomitant dimorphism in diphenyl (3,4-difluorophenyl)phosphoramidates (2017) (0)
- 1-[1-(4-Fluorophenyl)-2-methyl-5-phenyl-1H-pyrrol-3-yl]ethanone (2006) (0)
- 2,6-Bis(4,6-dimethoxypyrimidin-2-yloxy)benzoic acid (2005) (0)
- Hexaaquanickel(II) dichromate bis(hexamethylenetetramine) monohydrate (2003) (0)
- Chemistry of 1-fluoro-2,3,4-triphenylcyclobutadiene dimers. (2007) (0)
- Single Cu Atom Doping on Au11 Nanocluster: Its Implication toward Selectivity in C–C Coupling Reaction (2023) (0)
- Ethyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate (2003) (0)
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