The independent gradient model (IGM) {originally|initially} proposed in Phys. Chem. Chem. Phys., 19, 17928 (2017) has been increasingly {popular|well-liked|well-known|common|well known|preferred} in visual {analysis|evaluation} of intramolecular and intermolecular interactions in {recent|current} years, and it has {many|numerous|several|a lot of|quite a few|lots of} clear {advantages|benefits|positive aspects} {over|more than} the {widely|extensively|broadly} employed noncovalent interaction (NCI) {method|technique|approach|strategy|system|process}, {such as|like|including|for example|for instance|which include} intrafragment and interfragment interactions {can be|may be|could be|might be|is often|is usually} elegantly isolated and {thus|therefore|hence|as a result} separately studied, the isosurfaces are smoother and {less|much less|significantly less} jaggy. {However|Nevertheless|Nonetheless|Even so|On the other hand|Having said that}, we {frequently|often|regularly} observed that {there is|there’s|there is certainly} an evident shortcoming of IGM map in graphically studying weak interactions, {that is|that’s|which is|that is certainly|that is definitely|that may be} its isosurfaces {are usually|are often} {too|as well|also} bulgy; in these {cases|instances|circumstances|situations}, {not only|not just|not merely|not simply} the graphical {effect|impact} is poor, {but also|but additionally|but in addition} the {color|colour} on some {areas|locations|places|regions} {on the|around the} isosurfaces is inappropriate and {may|might|could|may possibly|may well|may perhaps} {lead to|result in|bring about|cause} erroneous {analysis|evaluation} conclusions. {In addition|Additionally|Furthermore|Moreover|Also}, the IGM {method|technique|approach|strategy|system|process} was {originally|initially} proposed {based on|according to|depending on|determined by} promolecular density, {which is|that is|which can be} {quite|fairly|really|very|rather|pretty} crude and {does not|doesn’t|will not} take actual electronic structure into account. {In this|Within this} {article|post|write-up|report|short article}, we {first|initial|very first|1st|initially} present a detailed overview {of the|from the|in the|on the|with the|of your} IGM {analysis|evaluation}, {and then|and after that|after which|then} propose our new variant of IGM, namely IGM {based on|according to|depending on|determined by} Hirshfeld partition of molecular density (IGMH), which replaces the free-state atomic densities involved {in the|within the|inside the} IGM {method|technique|approach|strategy|system|process} {with the|using the|with all the|together with the} atomic densities derived by Hirshfeld partition of actual molecular electron density. This {change|alter|modify|adjust|transform} {makes|tends to make} IGM have {more|much more|a lot more|far more|additional|extra} rigorous physical background. {In addition|Additionally|Furthermore|Moreover|Also}, we describe some indices defined {on the|around the} {top|leading|best|prime|top rated|major} of IGM or IGMH framework to quantify contributions from {various|numerous|different|a variety of|several|many} atoms or atom pairs to interaction {between|in between|among|amongst|involving} {specific|particular|certain|distinct|precise} fragments. {A large|A sizable|A big} {number of|quantity of|variety of} application examples {in this|within this} {article|post|write-up|report|short article}, {including|such as|which includes|like} molecular and periodic systems, weak and chemical bond interactions, {fully|totally|completely} demonstrate the {important|essential|crucial|critical|significant|vital} {value|worth} of IGMH in intuitively understanding interactions in chemical systems. Comparisons also showed that the IGMH {usually|generally|typically|normally|commonly|ordinarily} has markedly {better|much better|far better|greater|superior|improved} graphical {effect|impact} than IGM and overcomes {known|recognized|identified} {problems|issues|difficulties|troubles|challenges|complications} in IGM. {Currently|Presently|At present|At the moment} IGMH {analysis|evaluation} has been {efficiently|effectively} supported in our freely {available|accessible|obtainable|offered|readily available|out there} and user-friendly wavefunction {analysis|evaluation} code Multiwfn (http://sobereva.com/multiwfn), {and a|along with a|as well as a|plus a|and also a|in addition to a} detailed tutorial is presented. We hope that IGMH will {become|turn out to be|grow to be|turn into|develop into|come to be} {a new|a brand new} {popular|well-liked|well-known|common|well known|preferred} {method|technique|approach|strategy|system|process} {among|amongst} chemists for exploring interactions in wide {variety|selection|assortment|range|wide variety} of chemical systems. (3S)-(-)-3-(Dimethylamino)pyrrolidine Chemscene 6-Bromobenzo[d]isothiazole web PMID:23996047
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